Alpha,beta-unsaturated carbonyl compounds

Alfa Aesar™ Isopentyl isobutyrate, 98%

CAS: 2050-01-3 Molecular Formula: C19H18O3 Molecular Weight (g/mol): 294.35 MDL Number: MFCD00053719 InChI Key: IOZVKDXPBWBUKY-LQIBPGRFSA-N Synonym: 1e,4e-1,5-bis 4-methoxyphenyl penta-1,4-dien-3-one, di-p-anisylideneacetone, bis 4-methoxybenzylidene acetone, 1,5-bis 4-methoxyphenyl penta-1,4-dien-3-one, 1,5-di 4-methoxyphenyl penta-1,4-dien-3-one, trans,trans-1,5-bis 4-methoxyphenyl-1,4-pentadien-3-one, 1e,4e-1,5-bis 4-methoxyphenyl-1,4-pentadien-3-one, dianisylideneacetone, 1,4-pentadien-3-one, 1,5-bis 4-methoxyphenyl, di 4-methoxystyryl ketone PubChem CID: 715840 IUPAC Name: (1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one SMILES: COC1=CC=C(C=C1)C=CC(=O)C=CC2=CC=C(C=C2)OC

Alfa Aesar™ N-Allylphthalimide, 97%

CAS: 5428-09-1 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.25 MDL Number: MFCD00158662 InChI Key: VQUXVWMAXIQKTQ-UHFFFAOYNA-N Synonym: 3-methyl-1-nonyn-3-ol, 3-methyl-1-nonyne-3-ol, 4,6'-sulfonyldiphenol, 3-methyl-l-nonyn-3-ol, acmc-20an14, 1-nonyn-3-ol, 3-methyl, 3-methyl-1-nonyn-3-ol #, ethynyl n-hexyl methyl carbinol, 3-methyl-1-nonyn-3-ol 5g PubChem CID: 225150 IUPAC Name: 3-methylnon-1-yn-3-ol SMILES: CCCCCCC(C)(C#C)O

Alfa Aesar™ 4-Ethynyl-2,6-dimethyl-4-heptanol, 97%

CAS: 10562-68-2 Molecular Formula: C11H20O Molecular Weight (g/mol): 168.28 MDL Number: MFCD00041605 InChI Key: CSNWKQHTZXPWJS-UHFFFAOYSA-N Synonym: 4-ethynyl-2,6-dimethyl-4-heptanol, acmc-1bvp6, 2,6-dimethyl-4-ethynyl-4-heptanol, 4-heptanol,4-ethynyl-2,6-dimethyl, 5-methyl-3-2-methylpropyl hex-1-yn-3-ol PubChem CID: 7010451 IUPAC Name: 4-ethynyl-2,6-dimethylheptan-4-ol SMILES: CC(C)CC(CC(C)C)(C#C)O

Alfa Aesar™ Tris(2,2,6,6-tetramethyl-3,5-heptanedionato)bismuth(III), 99.9%

CAS: 142617-53-6 Molecular Formula: C33H57BiO6 Molecular Weight (g/mol): 758.793 MDL Number: MFCD00064763 InChI Key: ZNHBPQSSVCRFST-LWTKGLMZSA-K Synonym: tris 2,2,6,6-tetramethyl-3,5-heptanedionato bismuth iii, bismuth iii tetramethylheptanedionate, 4z-5-bis 3z-2,2,6,6-tetramethyl-5-oxohept-3-en-3-yl oxy bismuthanyl oxy-2,2,6,6-tetramethylhept-4-en-3-one PubChem CID: 16717622 IUPAC Name: (Z)-5-bis[[(Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-yl]oxy]bismuthanyloxy-2,2,6,6-tetramethylhept-4-en-3-one SMILES: CC(C)(C)C(=CC(=O)C(C)(C)C)O[Bi](OC(=CC(=O)C(C)(C)C)C(C)(C)C)OC(=CC(=O)C(C)(C)C)C(C)(C)C

Alfa Aesar™ Copper(II) hexafluoro-2,4-pentanedionate hydrate, 98%

CAS: 155640-85-0 Molecular Formula: C10H6CuF12O5 Molecular Weight (g/mol): 497.68 MDL Number: MFCD00151019 InChI Key: DBDCQCFMFYPMNY-WOGKQDBSSA-N Synonym: copper ii hexafluoroacetylacetonate hydrate, bis hexafluoroacetylacetonato copper ii hydrate, copper ii hexafluoro-2,4-pentanedionate hydrate, copper hexafluoroacetylacetonate hydrate, copper ii hexafluoroacetyl-acetonate hydrate, hexafluoroacetylacetonato copper ii hydrate, copper ii hexafluoroacetylacetonate hydrate, elec. gr., bis 1,1,1,5,5,5-hexafluoroacetylacetonato copper ii hydrate, copper ii 1,1,1,5,5,5-hexafluoro-2,4-pentanedionate hydrate, 3z-1,1,1,5,5,5-hexafluoro-4-2z-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-yl oxy cuprio oxy pent-3-en-2-one hydrate PubChem CID: 56845342 IUPAC Name: copper;(E)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;hydrate SMILES: C(=C(C(F)(F)F)O)C(=O)C(F)(F)F.C(=C(C(F)(F)F)O)C(=O)C(F)(F)F.O.[Cu]

Alfa Aesar™ Palladium(II) 2,4-pentanedionate, Pd 34.7%

CAS: 14024-61-4 Molecular Formula: C10H14O4Pd Molecular Weight (g/mol): 304.638 MDL Number: MFCD00000025 InChI Key: JKDRQYIYVJVOPF-SYWGCQIGSA-L Synonym: palladium diacetonate, acetylacetone palladium ii salt, bis 2,4-pentanedionato palladium ii PubChem CID: 53384484 IUPAC Name: (E)-4-oxopent-2-en-2-olate;palladium(2+) SMILES: CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].[Pd+2]

Alfa Aesar™ 2,5-Dimethyl-3-hexyne-2,5-diol, (+/-) + meso, 98%

CAS: 142-30-3 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.198 MDL Number: MFCD00004468 InChI Key: IHJUECRFYCQBMW-UHFFFAOYSA-N Synonym: 2,5-dimethyl-3-hexyne-2,5-diol, dimethylhexynediol, kemitracin-50, tetramethylbutynediol, acetylenepinacol, 3-hexyne-2,5-diol, 2,5-dimethyl, olfine y, tetramethyl-2-butynediol, unii-22rr53u71w, 2,5-dimethylhexyne-2,5-diol PubChem CID: 8883 IUPAC Name: 2,5-dimethylhex-3-yne-2,5-diol SMILES: CC(C)(C#CC(C)(C)O)O

Alfa Aesar™ 3-Methyl-2-butenal, 97%

CAS: 107-86-8 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.118 MDL Number: MFCD00010291 InChI Key: SEPQTYODOKLVSB-UHFFFAOYSA-N Synonym: 3-methyl-2-butenal, prenal, 3-methylcrotonaldehyde, senecialdehyde, 3,3-dimethylacrolein, senecioaldehyde, 2-butenal, 3-methyl, beta,beta-dimethylacrolein, crotonaldehyde, 3-methyl, beta-methylcrotonaldehyde PubChem CID: 61020 ChEBI: CHEBI:15825 IUPAC Name: 3-methylbut-2-enal SMILES: CC(=CC=O)C

Alfa Aesar™ Tetrakis(2,2,6,6-tetramethyl-3,5-heptanedionato)zirconium(IV), 99.9%

CAS: 18865-74-2 Molecular Formula: C44H80O8Zr Molecular Weight (g/mol): 828.34 MDL Number: MFCD00145380 InChI Key: ANBXKEDJQLYCLX-UHFFFAOYSA-N Synonym: tetrakis 2,2,6,6-tetramethyl-3,5-heptanedionato zirconium, zirconium 2,2,6,6-tetramethyl-3,5-heptanedionate, tetrakis 2,2,6,6-tetramethyl-3,5-heptanedionato zirconium iv, zr tmhd 4, zirconium tetrakis 2,2,6,6-tetramethyl-3,5-heptanedionate, zirconium tetrakis dipivaloylmethanate, zirconium iv 2,2,6,6-tetramethyl-3,5-heptanedionate, 4z-2,2,6,6-tetramethyl-5-tris 3z-2,2,6,6-tetramethyl-5-oxohept-3-en-3-yl oxy zirconio oxy hept-4-en-3-one PubChem CID: 50919870 IUPAC Name: 5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;zirconium SMILES: CC(C)(C)C(=CC(=O)C(C)(C)C)O.CC(C)(C)C(=CC(=O)C(C)(C)C)O.CC(C)(C)C(=CC(=O)C(C)(C)C)O.CC(C)(C)C(=CC(=O)C(C)(C)C)O.[Zr]

Alfa Aesar™ Calcium 2,4-pentanedionate hydrate, 99%

CAS: 345909-31-1 Molecular Formula: C10H16CaO5 Molecular Weight (g/mol): 256.311 MDL Number: MFCD00013486 InChI Key: FFWWBMKQRYMOKA-SUKNRPLKSA-L Synonym: calcium bis 4-oxopent-2-en-2-olate hydrate PubChem CID: 16219078 IUPAC Name: calcium;(Z)-4-oxopent-2-en-2-olate;hydrate SMILES: CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].O.[Ca+2]

Alfa Aesar™ Tris(2,2,6,6-tetramethyl-3,5-heptanedionato)iron(III), recrystallized, 99.9% (metals basis)

CAS: 14876-47-2 Molecular Formula: C33H60FeO6 Molecular Weight (g/mol): 608.682 MDL Number: MFCD00067465 InChI Key: WLITYJBILWOYFF-QFVJJVGWSA-N Synonym: fe tmhd 3 PubChem CID: 15251600 IUPAC Name: (E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iron SMILES: CC(C)(C)C(=CC(=O)C(C)(C)C)O.CC(C)(C)C(=CC(=O)C(C)(C)C)O.CC(C)(C)C(=CC(=O)C(C)(C)C)O.[Fe]

Alfa Aesar™ Copper(II) hexafluoro-2,4-pentanedionate hydrate, 99.99% (metals basis)

CAS: 155640-85-0 Molecular Formula: C10H6CuF12O5 Molecular Weight (g/mol): 497.68 MDL Number: MFCD00151019 InChI Key: DBDCQCFMFYPMNY-WOGKQDBSSA-N Synonym: copper ii hexafluoroacetylacetonate hydrate, bis hexafluoroacetylacetonato copper ii hydrate, copper ii hexafluoro-2,4-pentanedionate hydrate, copper hexafluoroacetylacetonate hydrate, copper ii hexafluoroacetyl-acetonate hydrate, hexafluoroacetylacetonato copper ii hydrate, copper ii hexafluoroacetylacetonate hydrate, elec. gr., bis 1,1,1,5,5,5-hexafluoroacetylacetonato copper ii hydrate, copper ii 1,1,1,5,5,5-hexafluoro-2,4-pentanedionate hydrate, 3z-1,1,1,5,5,5-hexafluoro-4-2z-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-yl oxy cuprio oxy pent-3-en-2-one hydrate PubChem CID: 56845342 IUPAC Name: copper;(E)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;hydrate SMILES: C(=C(C(F)(F)F)O)C(=O)C(F)(F)F.C(=C(C(F)(F)F)O)C(=O)C(F)(F)F.O.[Cu]

Alfa Aesar™ Tris(2,2,6,6-tetramethyl-3,5-heptanedionato)europium(III)

CAS: 15522-71-1 Molecular Formula: C33H60EuO6 Molecular Weight (g/mol): 704.801 MDL Number: MFCD00000019 InChI Key: RHXUZKJNHAMZEP-QFVJJVGWSA-N Synonym: eu dpm 3, tris 2,2,6,6-tetramethyl-3,5-heptanedionato europium, tris 2,2,6,6-tetramethyl-3,5-heptanedionato europium iii, resolve-al tm, europium iii-dpm, eu tmhd 3, europium 2,2,6,6-tetramethyl-3,5-heptanedionate, europium-tris dipivaloylmethane, tris 2,2,6,6-tetramethyl-3,5-heptanedionato europium 3 PubChem CID: 10897800 IUPAC Name: europium;(E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one SMILES: CC(C)(C)C(=CC(=O)C(C)(C)C)O.CC(C)(C)C(=CC(=O)C(C)(C)C)O.CC(C)(C)C(=CC(=O)C(C)(C)C)O.[Eu]

Alfa Aesar™ 4-Hexen-3-one, 98%, trans-isomer >95%

CAS: 2497-21-4 Molecular Formula: C6H10O Molecular Weight (g/mol): 98.145 MDL Number: MFCD00010631 InChI Key: FEWIGMWODIRUJM-HWKANZROSA-N Synonym: 4-hexen-3-one, 2-hexen-4-one, 2-hexene-4-one, e-hex-4-en-3-one, 4-hexene-3-one, fema no. 3352, e-4-hexen-3-one, 4-hexen-3-one, predominantly trans, e-ch3ch=chc =o c2h5, trans-4-hexen-3-one PubChem CID: 5365811 IUPAC Name: (E)-hex-4-en-3-one SMILES: CCC(=O)C=CC

Alfa Aesar™ Indium(III) 2,4-pentanedionate, 98%

CAS: 14405-45-9 Molecular Formula: C15H21InO6 Molecular Weight (g/mol): 412.145 MDL Number: MFCD00013494 InChI Key: SKWCWFYBFZIXHE-AMLHQIMMSA-K Synonym: acetylacetone indium iii salt, indium iii tris 4-oxo-2-pentene-2-olate PubChem CID: 101644361 IUPAC Name: indium(3+);(Z)-4-oxopent-2-en-2-olate;(E)-4-oxopent-2-en-2-olate SMILES: CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].[In+3]

Alfa Aesar™ Ethyl vinyl ketone, 97%, stab.

CAS: 1629-58-9 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.118 MDL Number: MFCD00009316 InChI Key: JLIDVCMBCGBIEY-UHFFFAOYSA-N Synonym: 1-penten-3-one, ethyl vinyl ketone, ethylvinylketone, 1-pentene-3-one, ethylvinyl ketone, pentenone, ketone, ethyl vinyl, vinyl ethyl ketone, unii-r0053y1az7, fema no. 3382 PubChem CID: 15394 IUPAC Name: pent-1-en-3-one SMILES: CCC(=O)C=C

Alfa Aesar™ Neodymium(III) hexafluoro-2,4-pentanedionate dihydrate

CAS: 47814-18-6 MDL Number: MFCD00167152 Synonym: neodymium lll hexafluoroacetylacetonate dihydrate, neodymium hexafluoropentanedionate dihydrate, neodymium iii hexafluoro 2,4-pentanedionate, neodymium iii hexafluoroacetylacetonate dihydrate, neodymium iii hexafluoro-2,4-pentanedionate dihydrate, neodymium iii hexafluoroacetylacetonate dihydrate, ?nd cf3cochcocf3 3.2h2o, neodymium,tris 1,1,1,5,5,5-hexafluoro-2,4-pentanedionato-ko2,ko4-, oc-6-11, 3z-4-bis 2z-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-yl oxy neodymio oxy-1,1,1,5,5,5-hexafluoropent-3-en-2-one dihydrate

Chromium(III) acetylacetonate, 97%, ACROS Organics™

CAS: 21679-31-2 Molecular Formula: C15H21CrO6 Molecular Weight (g/mol): 349.32 MDL Number: MFCD00000015 InChI Key: MJSNUBOCVAKFIJ-LNTINUHCSA-N Synonym: chromium iii acetylacetonate, dsstox_cid_30421, dsstox_gsid_51863 PubChem CID: 91759531 IUPAC Name: chromium;(Z)-4-oxoniumylidenepent-2-en-2-olate SMILES: CC(=CC(=[OH+])C)[O-].CC(=CC(=[OH+])C)[O-].CC(=CC(=[OH+])C)[O-].[Cr]

1-Dimethylamino-but-1-en-3-one, 98%, ACROS Organics™

CAS: 2802-08-6 Molecular Formula: C6H11NO Molecular Weight (g/mol): 113.16 MDL Number: MFCD00142611 InChI Key: QPWSKIGAQZAJKS-SNAWJCMRSA-N Synonym: e-4-dimethylamino but-3-en-2-one, trans-4-dimethylamino-3-buten-2-one, 4-dimethylamino but-3-en-2-one, 3e-4-dimethylamino but-3-en-2-one, 1-dimethylamino-but-1-en-3-one, 4-dimethylamino-3-buten-2-one, 3e-4-dimethylamino-3-buten-2-one, 3-buten-2-one, 4-dimethylamino-, 3e, 3-buten-2-one, 4-dimethylamino, 3-buten-2-one, 4-dimethylamino-, 3e-9ci PubChem CID: 5369152 IUPAC Name: (E)-4-(dimethylamino)but-3-en-2-one SMILES: CC(=O)C=CN(C)C

Alfa Aesar™ Nickel(II) 1,1,1-trifluoro-2,4-pentanedionate dihydrate

CAS: 55534-89-9 Molecular Formula: C10H14F6NiO6 Molecular Weight (g/mol): 402.90 MDL Number: MFCD00150656 InChI Key: ZKWNTTFKFAZZPW-UHFFFAOYSA-N Synonym: nickel trifluoroacetylacetonate dihydrate

Alfa Aesar™ Cobalt(II) hexafluoro-2,4-pentanedionate hydrate, 97%

CAS: 206986-92-7 Molecular Formula: C10H6CoF12O5 Molecular Weight (g/mol): 493.067 MDL Number: MFCD00042510 InChI Key: POHWVOSIFCILEF-SUXDNRKISA-N Synonym: bis hexafluoroacetylacetonato cobalt ii hydrate, cobalt 2+ bis 1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate, cobalt 2+ ; z-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate PubChem CID: 16212172 IUPAC Name: cobalt;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;hydrate SMILES: C(=C(C(F)(F)F)O)C(=O)C(F)(F)F.C(=C(C(F)(F)F)O)C(=O)C(F)(F)F.O.[Co]

Alfa Aesar™ Barium 2,4-pentanedionate hydrate

CAS: 12084-29-6 Molecular Formula: C10H14BaO4 Molecular Weight (g/mol): 335.545 MDL Number: MFCD00013484 InChI Key: DJHZYHWLGNJISM-FDGPNNRMSA-L Synonym: barium 2+ ; z-4-oxopent-2-en-2-olate, barium 2,4-pentanedionate, bis pentane-2,4-dionato-o,o' barium, barium, bis 2,4-pentanedionato-o,o'-, t-4, 2,4-pentanedione,ion 1-, barium 2:1, barium, bis 2,4-pentanedionato-o,o'-, hydrate PubChem CID: 5486157 IUPAC Name: barium(2+);(Z)-4-oxopent-2-en-2-olate SMILES: CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].[Ba+2]

Alfa Aesar™ 3-Octen-2-one, 97%

CAS: 1669-44-9 Molecular Formula: C8H14O Molecular Weight (g/mol): 126.199 MDL Number: MFCD00015565 InChI Key: ZCFOBLITZWHNNC-VOTSOKGWSA-N Synonym: 3-octen-2-one, trans-3-octen-2-one, e-3-octen-2-one, 3e-3-octen-2-one, e-oct-3-en-2-one, unii-m26ah283xv, 3-octen-2-one, e, 3e-octen-2-one, 3e-oct-3-en-2-one, hex-1-enyl methyl ketone PubChem CID: 5363229 IUPAC Name: (E)-oct-3-en-2-one SMILES: CCCCC=CC(=O)C

3-Methyl-2-butenal, 97%, ACROS Organics™

CAS: 107-86-8 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.12 InChI Key: SEPQTYODOKLVSB-UHFFFAOYSA-N Synonym: 3-methyl-2-butenal, prenal, 3-methylcrotonaldehyde, senecialdehyde, 3,3-dimethylacrolein, senecioaldehyde, 2-butenal, 3-methyl, beta,beta-dimethylacrolein, crotonaldehyde, 3-methyl, beta-methylcrotonaldehyde PubChem CID: 61020 ChEBI: CHEBI:15825 IUPAC Name: 3-methylbut-2-enal SMILES: CC(=CC=O)C

Alfa Aesar™ (1,5-Cyclooctadiene)rhodium(I) 2,4-pentanedionate

CAS: 12245-39-5 Molecular Formula: C13H20O2Rh Molecular Weight (g/mol): 311.207 MDL Number: MFCD00075046 InChI Key: BUYVJWVYKPKZEX-DWVXZKBMSA-N Synonym: acetylacetonato 1,5-cyclooctadiene rhodium i, rh acac cod, acetylacetonate 1,5-cyclooctadiene rhodium, acetylacetonato 1,5-cyclooctadiene rhodium, rhodium 1,5-cyclooctadiene-2,4-pentanedionate, acetylacetonato eta-cycloocta-1,5-diene rhodium i, 3z-4-rhodiooxy pent-3-en-2-one; 1,5-cyclooctadiene, z,z PubChem CID: 10935795 IUPAC Name: (1Z,5Z)-cycloocta-1,5-diene;(Z)-4-hydroxypent-3-en-2-one;rhodium SMILES: CC(=CC(=O)C)O.C1CC=CCCC=C1.[Rh]

Vanadyl(IV) acetylacetonate, 99%, ACROS Organics™

CAS: 3153-26-2 Molecular Formula: C10H14O5V Molecular Weight (g/mol): 265.15 MDL Number: MFCD00000032 InChI Key: DKHLKZMCKOJMTD-SUKNRPLKSA-L Synonym: vanadyl acetylacetonate, bis 2,4-pentanedionato vanadium iv oxide PubChem CID: 131674261 IUPAC Name: (Z)-4-oxopent-2-en-2-olate;vanadium(2+);hydrate SMILES: CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].O.[V+2]

Alfa Aesar™ trans-2-Methyl-2-butenal, 97%

CAS: 497-03-0 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.118 MDL Number: MFCD00006977 InChI Key: ACWQBUSCFPJUPN-HWKANZROSA-N Synonym: tiglic aldehyde, trans-2-methyl-2-butenal, tiglaldehyde, 2-methylbut-2-enal, e-2-methylbut-2-enal, tiglic acid aldehyde, e-2-methyl-2-butenal, 2-butenal, 2-methyl-, e, tigaldehyde, trans, 2-butenal, 2-methyl-, 2e PubChem CID: 5321950 IUPAC Name: (E)-2-methylbut-2-enal SMILES: CC=C(C)C=O

Alfa Aesar™ Bis(2,2,6,6-tetramethyl-3,5-heptanedionato)calcium(II), 99.99% (metals basis)

CAS: 118448-18-3 Molecular Formula: C22H38CaO4 Molecular Weight (g/mol): 406.62 MDL Number: MFCD00064757 InChI Key: DOOFPPIHJGRIGW-OLHSYEKISA-L Synonym: ca tmhd 2, calcium bis dipivaloylmethanate, bis 2,2,6,6-tetramethyl-3,5-heptanedionato calcium PubChem CID: 14598209 IUPAC Name: calcium;(Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate;(E)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate SMILES: CC(C)(C)C(=CC(=O)C(C)(C)C)[O-].CC(C)(C)C(=CC(=O)C(C)(C)C)[O-].[Ca+2]

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