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Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.
Benzene and substituted derivatives (58)
Phenols (33)
Naphthalenes (15)
Anthracenes (6)
Ellagic acids and derivatives (4)
Unsubstituted Phenols (3)

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1 – 15 of 44 results
1

Probenecid, 98%

CAS: 57-66-9 Molecular Formula: C13H19NO4S Molecular Weight (g/mol): 285.36 MDL Number: MFCD00038402 InChI Key: DBABZHXKTCFAPX-UHFFFAOYSA-N Synonym: probenecid,4-dipropylsulfamoyl benzoic acid,probenecid acid,probecid,benecid,benemid,benuryl,probalan,probenemid,probexin PubChem CID: 4911 ChEBI: CHEBI:8426 IUPAC Name: 4-(dipropylsulfamoyl)benzoic acid SMILES: CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(O)=O

EDGE
PubChem CID 4911
CAS 57-66-9
Molecular Weight (g/mol) 285.36
ChEBI CHEBI:8426
MDL Number MFCD00038402
SMILES CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(O)=O
Synonym probenecid,4-dipropylsulfamoyl benzoic acid,probenecid acid,probecid,benecid,benemid,benuryl,probalan,probenemid,probexin
IUPAC Name 4-(dipropylsulfamoyl)benzoic acid
InChI Key DBABZHXKTCFAPX-UHFFFAOYSA-N
Molecular Formula C13H19NO4S
2

Calconcarboxylic acid

CAS: 3737-95-9 Molecular Formula: C21H14N2O7S Molecular Weight (g/mol): 438.41 MDL Number: MFCD00004078 InChI Key: ULIVOAKVRBXKKS-PYCFMQQDSA-N Synonym: calconcarboxylic acid,patton-reeder indicator,calconcarbonic acid,calcon 3-carboxylic acid,patton and reeder's indicator,2-hydroxy-1-2-hydroxy-4-sulfo-1-napthylazo-3-naphthoic acid,2,2'-dihydroxy-4'-sulpho-1,1'-azonaphthalene-3-carboxylic acid,2-naphthalenecarboxylic acid, 3-hydroxy-4-2-hydroxy-4-sulfo-1-naphthalenyl azo,nn PubChem CID: 5895210 IUPAC Name: 3-hydroxy-4-[(2Z)-2-(2-oxo-4-sulfonaphthalen-1-ylidene)hydrazinyl]naphthalene-2-carboxylic acid SMILES: C1=CC=C2C(=C1)C=C(C(=C2NN=C3C4=CC=CC=C4C(=CC3=O)S(=O)(=O)O)O)C(=O)O

EDGE
PubChem CID 5895210
CAS 3737-95-9
Molecular Weight (g/mol) 438.41
MDL Number MFCD00004078
SMILES C1=CC=C2C(=C1)C=C(C(=C2NN=C3C4=CC=CC=C4C(=CC3=O)S(=O)(=O)O)O)C(=O)O
Synonym calconcarboxylic acid,patton-reeder indicator,calconcarbonic acid,calcon 3-carboxylic acid,patton and reeder's indicator,2-hydroxy-1-2-hydroxy-4-sulfo-1-napthylazo-3-naphthoic acid,2,2'-dihydroxy-4'-sulpho-1,1'-azonaphthalene-3-carboxylic acid,2-naphthalenecarboxylic acid, 3-hydroxy-4-2-hydroxy-4-sulfo-1-naphthalenyl azo,nn
IUPAC Name 3-hydroxy-4-[(2Z)-2-(2-oxo-4-sulfonaphthalen-1-ylidene)hydrazinyl]naphthalene-2-carboxylic acid
InChI Key ULIVOAKVRBXKKS-PYCFMQQDSA-N
Molecular Formula C21H14N2O7S
3

2-Methoxyphenol, 98+%

CAS: 90-05-1 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.139 MDL Number: MFCD00002185 InChI Key: LHGVFZTZFXWLCP-UHFFFAOYSA-N Synonym: guaiacol,o-methoxyphenol,2-hydroxyanisole,phenol, 2-methoxy,pyrocatechol monomethyl ether,methylcatechol,guaiastil,guaicol,1-hydroxy-2-methoxybenzene,pyroguaiac acid PubChem CID: 460 ChEBI: CHEBI:28591 IUPAC Name: 2-methoxyphenol SMILES: COC1=CC=CC=C1O

EDGE
PubChem CID 460
CAS 90-05-1
Molecular Weight (g/mol) 124.139
ChEBI CHEBI:28591
MDL Number MFCD00002185
SMILES COC1=CC=CC=C1O
Synonym guaiacol,o-methoxyphenol,2-hydroxyanisole,phenol, 2-methoxy,pyrocatechol monomethyl ether,methylcatechol,guaiastil,guaicol,1-hydroxy-2-methoxybenzene,pyroguaiac acid
IUPAC Name 2-methoxyphenol
InChI Key LHGVFZTZFXWLCP-UHFFFAOYSA-N
Molecular Formula C7H8O2
4

Thermo Scientific Chemicals 5(6)-Carboxyfluorescein

CAS: 72088-94-9 Molecular Formula: C42H24O14 Molecular Weight (g/mol): 752.64 MDL Number: MFCD00151081 InChI Key: BPVHBBXCESDRKW-UHFFFAOYSA-N Synonym: 5 6-fam,3',6'-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9'-xanthene-5-carboxylic acid compound with 3',6'-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9'-xanthene-6-carboxylic acid 1:1,5-and-6-fam,5-and-6-carboxyfluorescein,5-carboxyfluorescein; carboxyfluorescein,5 6-carboxyfluorescein, dye content 90 %,5 6-carboxyfluorescein; carboxyfluorescein,5 6-carboxyfluorescein, bioreagent, suitable for fluorescence hplc,3,6-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9-xanthene-5-carboxylic acid compound with 3,6-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9-xanthene-6-carboxylic acid 1:1,4 5-carboxyfluorescein; 3',6'-dihydroxy-3-oxospiro 2-benzofuran-1,9'-xanthene-5 6-carboxylic acid PubChem CID: 44119975 IUPAC Name: 3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid;3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid SMILES: OC(=O)C1=CC2=C(C=C1)C1(OC2=O)C2=C(OC3=C1C=CC(O)=C3)C=C(O)C=C2.OC(=O)C1=CC2=C(C=C1)C(=O)OC21C2=C(OC3=C1C=CC(O)=C3)C=C(O)C=C2

EDGE
PubChem CID 44119975
CAS 72088-94-9
Molecular Weight (g/mol) 752.64
MDL Number MFCD00151081
SMILES OC(=O)C1=CC2=C(C=C1)C1(OC2=O)C2=C(OC3=C1C=CC(O)=C3)C=C(O)C=C2.OC(=O)C1=CC2=C(C=C1)C(=O)OC21C2=C(OC3=C1C=CC(O)=C3)C=C(O)C=C2
Synonym 5 6-fam,3',6'-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9'-xanthene-5-carboxylic acid compound with 3',6'-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9'-xanthene-6-carboxylic acid 1:1,5-and-6-fam,5-and-6-carboxyfluorescein,5-carboxyfluorescein; carboxyfluorescein,5 6-carboxyfluorescein, dye content 90 %,5 6-carboxyfluorescein; carboxyfluorescein,5 6-carboxyfluorescein, bioreagent, suitable for fluorescence hplc,3,6-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9-xanthene-5-carboxylic acid compound with 3,6-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9-xanthene-6-carboxylic acid 1:1,4 5-carboxyfluorescein; 3',6'-dihydroxy-3-oxospiro 2-benzofuran-1,9'-xanthene-5 6-carboxylic acid
IUPAC Name 3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid;3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid
InChI Key BPVHBBXCESDRKW-UHFFFAOYSA-N
Molecular Formula C42H24O14
6

Anthrone, 95%, pure

CAS: 90-44-8 Molecular Formula: C14H10O Molecular Weight (g/mol): 194.23 MDL Number: MFCD00001187 InChI Key: RJGDLRCDCYRQOQ-UHFFFAOYSA-N Synonym: anthrone,9 10h-anthracenone,carbothrone,anthranone,9-oxoanthracene,9,10-dihydro-9-oxoanthracene,az-o,anthracen-9 10h-one,anthracene, 9,10-dihydro-9-oxo,unii-fp0fj7k744 PubChem CID: 7018 ChEBI: CHEBI:33835 IUPAC Name: 10H-anthracen-9-one SMILES: O=C1C2=CC=CC=C2CC2=CC=CC=C12

PubChem CID 7018
CAS 90-44-8
Molecular Weight (g/mol) 194.23
ChEBI CHEBI:33835
MDL Number MFCD00001187
SMILES O=C1C2=CC=CC=C2CC2=CC=CC=C12
Synonym anthrone,9 10h-anthracenone,carbothrone,anthranone,9-oxoanthracene,9,10-dihydro-9-oxoanthracene,az-o,anthracen-9 10h-one,anthracene, 9,10-dihydro-9-oxo,unii-fp0fj7k744
IUPAC Name 10H-anthracen-9-one
InChI Key RJGDLRCDCYRQOQ-UHFFFAOYSA-N
Molecular Formula C14H10O
7

Rosolic acid

CAS: 603-45-2 Molecular Formula: C19H14O3 Molecular Weight (g/mol): 290.32 MDL Number: MFCD00001624 InChI Key: FYEHYMARPSSOBO-UHFFFAOYSA-N Synonym: aurin,rosolic acid,corallin,p-rosolic acid,aurine,spirit aurine,corallin spirit soluble,4,4'-dihydroxyfuchsone,aurin no. 555,4-bis 4-hydroxyphenyl methylene cyclohexa-2,5-dienone PubChem CID: 5100 ChEBI: CHEBI:34544 IUPAC Name: 4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one SMILES: OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)=C1C=CC(=O)C=C1

PubChem CID 5100
CAS 603-45-2
Molecular Weight (g/mol) 290.32
ChEBI CHEBI:34544
MDL Number MFCD00001624
SMILES OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)=C1C=CC(=O)C=C1
Synonym aurin,rosolic acid,corallin,p-rosolic acid,aurine,spirit aurine,corallin spirit soluble,4,4'-dihydroxyfuchsone,aurin no. 555,4-bis 4-hydroxyphenyl methylene cyclohexa-2,5-dienone
IUPAC Name 4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one
InChI Key FYEHYMARPSSOBO-UHFFFAOYSA-N
Molecular Formula C19H14O3
8

Anthrone, 95%

CAS: 90-44-8 Molecular Formula: C14H10O Molecular Weight (g/mol): 194.23 MDL Number: MFCD00001187 InChI Key: RJGDLRCDCYRQOQ-UHFFFAOYSA-N Synonym: anthrone,9 10h-anthracenone,carbothrone,anthranone,9-oxoanthracene,9,10-dihydro-9-oxoanthracene,az-o,anthracen-9 10h-one,anthracene, 9,10-dihydro-9-oxo,unii-fp0fj7k744 PubChem CID: 7018 ChEBI: CHEBI:33835 SMILES: O=C1C2=CC=CC=C2CC2=CC=CC=C12

PubChem CID 7018
CAS 90-44-8
Molecular Weight (g/mol) 194.23
ChEBI CHEBI:33835
MDL Number MFCD00001187
SMILES O=C1C2=CC=CC=C2CC2=CC=CC=C12
Synonym anthrone,9 10h-anthracenone,carbothrone,anthranone,9-oxoanthracene,9,10-dihydro-9-oxoanthracene,az-o,anthracen-9 10h-one,anthracene, 9,10-dihydro-9-oxo,unii-fp0fj7k744
InChI Key RJGDLRCDCYRQOQ-UHFFFAOYSA-N
Molecular Formula C14H10O
9

8-Anilinonaphthalene-1-sulfonic acid ammonium salt, 98%

CAS: 28836-03-5 Molecular Formula: C16H16N2O3S Molecular Weight (g/mol): 316.38 MDL Number: MFCD00012560 InChI Key: IPBNQYLKHUNLQE-UHFFFAOYSA-N Synonym: ammonium 8-phenylamino naphthalene-1-sulfonate,8-anilino-1-naphthalenesulfonic acid ammonium salt,unii-gt7mn8dkd7,gt7mn8dkd7,ammonium 8-anilino-1-naphthalenesulfonate,1-naphthalenesulfonic acid, 8-phenylamino-, monoammonium salt,1-naphthalenesulfonic acid, 8-phenylamino-, ammonium salt 1:1,ansa,1-anilinonaphthalene-8-sulfonic acid ammonium salt,82-76-8 parent PubChem CID: 120066 IUPAC Name: azanium;8-anilinonaphthalene-1-sulfonate SMILES: [NH4+].[O-]S(=O)(=O)C1=C2C(NC3=CC=CC=C3)=CC=CC2=CC=C1

PubChem CID 120066
CAS 28836-03-5
Molecular Weight (g/mol) 316.38
MDL Number MFCD00012560
SMILES [NH4+].[O-]S(=O)(=O)C1=C2C(NC3=CC=CC=C3)=CC=CC2=CC=C1
Synonym ammonium 8-phenylamino naphthalene-1-sulfonate,8-anilino-1-naphthalenesulfonic acid ammonium salt,unii-gt7mn8dkd7,gt7mn8dkd7,ammonium 8-anilino-1-naphthalenesulfonate,1-naphthalenesulfonic acid, 8-phenylamino-, monoammonium salt,1-naphthalenesulfonic acid, 8-phenylamino-, ammonium salt 1:1,ansa,1-anilinonaphthalene-8-sulfonic acid ammonium salt,82-76-8 parent
IUPAC Name azanium;8-anilinonaphthalene-1-sulfonate
InChI Key IPBNQYLKHUNLQE-UHFFFAOYSA-N
Molecular Formula C16H16N2O3S
10

4,5-Dimethoxy-2-nitrobenzoic acid, 98%

CAS: 4998-07-6 MDL Number: MFCD00014697

CAS 4998-07-6
MDL Number MFCD00014697
11

Carbadox, 98+%

CAS: 6804-07-5 MDL Number: MFCD00057293

CAS 6804-07-5
MDL Number MFCD00057293
12

Rhein, 97%

CAS: 478-43-3 Molecular Formula: C15H8O6 Molecular Weight (g/mol): 284.223 MDL Number: MFCD00009618 InChI Key: FCDLCPWAQCPTKC-UHFFFAOYSA-N Synonym: rhein,monorhein,rheic acid,rhubarb yellow,cassic acid,chrysazin-3-carboxylic acid,4,5-dihydroxyanthraquinone-2-carboxylic acid,4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid,rheinic acid,1,8-dihydroxyanthraquinone-3-carboxylic acid PubChem CID: 10168 ChEBI: CHEBI:8825 IUPAC Name: 4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid SMILES: C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3C2=O)C(=O)O)O

PubChem CID 10168
CAS 478-43-3
Molecular Weight (g/mol) 284.223
ChEBI CHEBI:8825
MDL Number MFCD00009618
SMILES C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3C2=O)C(=O)O)O
Synonym rhein,monorhein,rheic acid,rhubarb yellow,cassic acid,chrysazin-3-carboxylic acid,4,5-dihydroxyanthraquinone-2-carboxylic acid,4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid,rheinic acid,1,8-dihydroxyanthraquinone-3-carboxylic acid
IUPAC Name 4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid
InChI Key FCDLCPWAQCPTKC-UHFFFAOYSA-N
Molecular Formula C15H8O6
13

4-Aminosalicylic acid, 98+%

CAS: 65-49-6 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.137 MDL Number: MFCD00007789 InChI Key: WUBBRNOQWQTFEX-UHFFFAOYSA-N Synonym: 4-aminosalicylic acid,aminosalicylic acid,p-aminosalicylic acid,rezipas,pamisyl,parasalindon,aminopar,deapasil,ferrosan,apacil PubChem CID: 4649 ChEBI: CHEBI:27565 IUPAC Name: 4-amino-2-hydroxybenzoic acid SMILES: C1=CC(=C(C=C1N)O)C(=O)O

PubChem CID 4649
CAS 65-49-6
Molecular Weight (g/mol) 153.137
ChEBI CHEBI:27565
MDL Number MFCD00007789
SMILES C1=CC(=C(C=C1N)O)C(=O)O
Synonym 4-aminosalicylic acid,aminosalicylic acid,p-aminosalicylic acid,rezipas,pamisyl,parasalindon,aminopar,deapasil,ferrosan,apacil
IUPAC Name 4-amino-2-hydroxybenzoic acid
InChI Key WUBBRNOQWQTFEX-UHFFFAOYSA-N
Molecular Formula C7H7NO3
14

4-Hydroxybenzyl alcohol, 99%

CAS: 623-05-2 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.139 MDL Number: MFCD00004658 InChI Key: BVJSUAQZOZWCKN-UHFFFAOYSA-N Synonym: 4-hydroxybenzyl alcohol,4-hydroxymethyl phenol,p-hydroxybenzyl alcohol,p-methylolphenol,4-methylolphenol,4-hydroxybenzenemethanol,benzenemethanol, 4-hydroxy,p-hydroxymethyl phenol,gastrodigenin,4-hydroxybenzylalcohol PubChem CID: 125 ChEBI: CHEBI:67410 IUPAC Name: 4-(hydroxymethyl)phenol SMILES: C1=CC(=CC=C1CO)O

PubChem CID 125
CAS 623-05-2
Molecular Weight (g/mol) 124.139
ChEBI CHEBI:67410
MDL Number MFCD00004658
SMILES C1=CC(=CC=C1CO)O
Synonym 4-hydroxybenzyl alcohol,4-hydroxymethyl phenol,p-hydroxybenzyl alcohol,p-methylolphenol,4-methylolphenol,4-hydroxybenzenemethanol,benzenemethanol, 4-hydroxy,p-hydroxymethyl phenol,gastrodigenin,4-hydroxybenzylalcohol
IUPAC Name 4-(hydroxymethyl)phenol
InChI Key BVJSUAQZOZWCKN-UHFFFAOYSA-N
Molecular Formula C7H8O2
15

1-Phenyl-2-thiourea, 97%

CAS: 103-85-5 Molecular Formula: C7H8N2S Molecular Weight (g/mol): 152.22 MDL Number: MFCD00004933 InChI Key: FULZLIGZKMKICU-UHFFFAOYSA-N Synonym: n-phenylthiourea,1-phenylthiourea,1-phenyl-2-thiourea,phenylthiocarbamide,thiourea, phenyl,phenyl-2-thiourea,fenylthiomocovina,urea, 1-phenyl-2-thio,rcra waste number p093,phenyl-thiourea PubChem CID: 676454 ChEBI: CHEBI:46261 IUPAC Name: phenylthiourea SMILES: NC(=S)NC1=CC=CC=C1

PubChem CID 676454
CAS 103-85-5
Molecular Weight (g/mol) 152.22
ChEBI CHEBI:46261
MDL Number MFCD00004933
SMILES NC(=S)NC1=CC=CC=C1
Synonym n-phenylthiourea,1-phenylthiourea,1-phenyl-2-thiourea,phenylthiocarbamide,thiourea, phenyl,phenyl-2-thiourea,fenylthiomocovina,urea, 1-phenyl-2-thio,rcra waste number p093,phenyl-thiourea
IUPAC Name phenylthiourea
InChI Key FULZLIGZKMKICU-UHFFFAOYSA-N
Molecular Formula C7H8N2S