Benzenoids
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Sulfasalazine, USP, 97-101.5%, Spectrum™ Chemical
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CAS: 599-79-1 Molecular Formula: C18H14N4O5S Molecular Weight (g/mol): 398.39 InChI Key: OQANPHBRHBJGNZ-BKUYFWCQSA-N IUPAC Name: (3Z)-6-oxo-3-(2-{4-[(pyridin-2-yl)sulfamoyl]phenyl}hydrazin-1-ylidene)cyclohexa-1,4-diene-1-carboxylic acid SMILES: OC(=O)C1=C\C(C=CC1=O)=N/NC1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=N1
| CAS | 599-79-1 |
|---|---|
| Molecular Weight (g/mol) | 398.39 |
| SMILES | OC(=O)C1=C\C(C=CC1=O)=N/NC1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=N1 |
| IUPAC Name | (3Z)-6-oxo-3-(2-{4-[(pyridin-2-yl)sulfamoyl]phenyl}hydrazin-1-ylidene)cyclohexa-1,4-diene-1-carboxylic acid |
| InChI Key | OQANPHBRHBJGNZ-BKUYFWCQSA-N |
| Molecular Formula | C18H14N4O5S |
4-Fluoro-3-methoxybenzoic acid, 95%, Thermo Scientific Chemicals
CAS: 82846-18-2 Molecular Formula: C8H7FO3 Molecular Weight (g/mol): 170.139 MDL Number: MFCD00272134 InChI Key: LWGCZCMLPRMKIZ-UHFFFAOYSA-N Synonym: 3-methoxy-4-fluorobenzoic acid,4-fluoro-m-anisic acid,benzoic acid, 4-fluoro-3-methoxy,4-fluoro-3-methoxybenzoicacid,4-fluoro-3-methoxy-benzoic acid,4-fluoranyl-3-methoxy-benzoic acid,pubchem1394,acmc-209pqm,ksc495c0r,rarechem al bo 0973 PubChem CID: 598436 IUPAC Name: 4-fluoro-3-methoxybenzoic acid SMILES: COC1=C(C=CC(=C1)C(=O)O)F
| PubChem CID | 598436 |
|---|---|
| CAS | 82846-18-2 |
| Molecular Weight (g/mol) | 170.139 |
| MDL Number | MFCD00272134 |
| SMILES | COC1=C(C=CC(=C1)C(=O)O)F |
| Synonym | 3-methoxy-4-fluorobenzoic acid,4-fluoro-m-anisic acid,benzoic acid, 4-fluoro-3-methoxy,4-fluoro-3-methoxybenzoicacid,4-fluoro-3-methoxy-benzoic acid,4-fluoranyl-3-methoxy-benzoic acid,pubchem1394,acmc-209pqm,ksc495c0r,rarechem al bo 0973 |
| IUPAC Name | 4-fluoro-3-methoxybenzoic acid |
| InChI Key | LWGCZCMLPRMKIZ-UHFFFAOYSA-N |
| Molecular Formula | C8H7FO3 |
Eugenol, USP, Spectrum™ Chemical
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CAS: 97-53-0 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00008654 InChI Key: RRAFCDWBNXTKKO-UHFFFAOYSA-N IUPAC Name: 2-methoxy-4-(prop-2-en-1-yl)phenol SMILES: COC1=CC(CC=C)=CC=C1O
| CAS | 97-53-0 |
|---|---|
| Molecular Weight (g/mol) | 164.20 |
| MDL Number | MFCD00008654 |
| SMILES | COC1=CC(CC=C)=CC=C1O |
| IUPAC Name | 2-methoxy-4-(prop-2-en-1-yl)phenol |
| InChI Key | RRAFCDWBNXTKKO-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
Ethylparaben, NF, 98-102%, Spectrum™ Chemical
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CAS: 120-47-8 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 InChI Key: NUVBSKCKDOMJSU-UHFFFAOYSA-N IUPAC Name: ethyl 4-hydroxybenzoate SMILES: CCOC(=O)C1=CC=C(O)C=C1
| CAS | 120-47-8 |
|---|---|
| Molecular Weight (g/mol) | 166.18 |
| SMILES | CCOC(=O)C1=CC=C(O)C=C1 |
| IUPAC Name | ethyl 4-hydroxybenzoate |
| InChI Key | NUVBSKCKDOMJSU-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
2-Ethylbenzaldehyde, 97%
CAS: 22927-13-5 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.18 MDL Number: MFCD02261766 InChI Key: NTWBHJYRDKBGBR-UHFFFAOYSA-N Synonym: benzaldehyde, 2-ethyl,o-ethylbenzaldehyde,2-ethyl benzaldehyde,2-ethyl-benzaldehyde,ethylbenzaldehyde,2-ethyl-benzaldehyd,6-ethyl benzaldehyde,pubchem3074,acmc-20a49p PubChem CID: 123406 IUPAC Name: 2-ethylbenzaldehyde SMILES: CCC1=CC=CC=C1C=O
| PubChem CID | 123406 |
|---|---|
| CAS | 22927-13-5 |
| Molecular Weight (g/mol) | 134.18 |
| MDL Number | MFCD02261766 |
| SMILES | CCC1=CC=CC=C1C=O |
| Synonym | benzaldehyde, 2-ethyl,o-ethylbenzaldehyde,2-ethyl benzaldehyde,2-ethyl-benzaldehyde,ethylbenzaldehyde,2-ethyl-benzaldehyd,6-ethyl benzaldehyde,pubchem3074,acmc-20a49p |
| IUPAC Name | 2-ethylbenzaldehyde |
| InChI Key | NTWBHJYRDKBGBR-UHFFFAOYSA-N |
| Molecular Formula | C9H10O |
4,4'-cis-Stilbenedicarboxylic acid, 95%
CAS: 133005-88-6 Molecular Formula: C16H12O4 Molecular Weight (g/mol): 268.268 MDL Number: MFCD00013994 InChI Key: SBBQDUFLZGOASY-UPHRSURJSA-N Synonym: 4-z-2-4-carboxyphenyl ethenyl benzoic acid,cis-stilbene-4,4'-dicarboxylic acid,z-4,4'-ethene-1,2-diyl dibenzoic acid,cis-4,4'-dicarboxystilbene,z-4,4'-stilbene dicarboxylic acid,z-stilbene-4,4'-dicarboxylic acid,4,4'-cis-stilbenedicarboxylic acid PubChem CID: 18647961 IUPAC Name: 4-[(Z)-2-(4-carboxyphenyl)ethenyl]benzoic acid SMILES: C1=CC(=CC=C1C=CC2=CC=C(C=C2)C(=O)O)C(=O)O
| PubChem CID | 18647961 |
|---|---|
| CAS | 133005-88-6 |
| Molecular Weight (g/mol) | 268.268 |
| MDL Number | MFCD00013994 |
| SMILES | C1=CC(=CC=C1C=CC2=CC=C(C=C2)C(=O)O)C(=O)O |
| Synonym | 4-z-2-4-carboxyphenyl ethenyl benzoic acid,cis-stilbene-4,4'-dicarboxylic acid,z-4,4'-ethene-1,2-diyl dibenzoic acid,cis-4,4'-dicarboxystilbene,z-4,4'-stilbene dicarboxylic acid,z-stilbene-4,4'-dicarboxylic acid,4,4'-cis-stilbenedicarboxylic acid |
| IUPAC Name | 4-[(Z)-2-(4-carboxyphenyl)ethenyl]benzoic acid |
| InChI Key | SBBQDUFLZGOASY-UPHRSURJSA-N |
| Molecular Formula | C16H12O4 |
Thermo Scientific Chemicals Cyclizine hydrochloride, 98%
CAS: 303-25-3 Molecular Formula: C18H22N2·HCl Molecular Weight (g/mol): 302.84 InChI Key: UKPBEPCQTDRZSE-UHFFFAOYSA-N Synonym: cyclizine hydrochloride,cyclizine hcl,dihydrochlorid,marzine,reis-fit,unii-w0o1nhp4we,marezine hydrochloride,cyclizine monohydrochloride,w0o1nhp4we,1-diphenylmethyl-4-methylpiperazine monohydrochloride PubChem CID: 6420019 ChEBI: CHEBI:51045 IUPAC Name: 1-benzhydryl-4-methylpiperazine;hydrochloride SMILES: CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3.Cl
| PubChem CID | 6420019 |
|---|---|
| CAS | 303-25-3 |
| Molecular Weight (g/mol) | 302.84 |
| ChEBI | CHEBI:51045 |
| SMILES | CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3.Cl |
| Synonym | cyclizine hydrochloride,cyclizine hcl,dihydrochlorid,marzine,reis-fit,unii-w0o1nhp4we,marezine hydrochloride,cyclizine monohydrochloride,w0o1nhp4we,1-diphenylmethyl-4-methylpiperazine monohydrochloride |
| IUPAC Name | 1-benzhydryl-4-methylpiperazine;hydrochloride |
| InChI Key | UKPBEPCQTDRZSE-UHFFFAOYSA-N |
| Molecular Formula | C18H22N2·HCl |
Cumene Hydroperoxide, 77%, Spectrum™ Chemical
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CAS: 80-15-9 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00002129 InChI Key: YQHLDYVWEZKEOX-UHFFFAOYSA-N IUPAC Name: 2-phenylpropane-2-peroxol SMILES: CC(C)(OO)C1=CC=CC=C1
| CAS | 80-15-9 |
|---|---|
| Molecular Weight (g/mol) | 152.19 |
| MDL Number | MFCD00002129 |
| SMILES | CC(C)(OO)C1=CC=CC=C1 |
| IUPAC Name | 2-phenylpropane-2-peroxol |
| InChI Key | YQHLDYVWEZKEOX-UHFFFAOYSA-N |
| Molecular Formula | C9H12O2 |
Ethyl phenylglyoxylate, 98%
CAS: 1603-79-8 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00009120 InChI Key: QKLCQKPAECHXCQ-UHFFFAOYSA-N Synonym: ethyl benzoylformate,ethyl phenylglyoxylate,ethyl oxophenylacetate,ethylbenzoylformate,phenylglyoxylic acid ethyl ester,ethyl oxo phenyl acetate,benzeneacetic acid, .alpha.-oxo-, ethyl ester,benzoylformic acid ethyl ester,ethyl benzoyl formate,glyoxylic acid, phenyl-, ethyl ester PubChem CID: 15349 ChEBI: CHEBI:84260 IUPAC Name: ethyl 2-oxo-2-phenylacetate SMILES: CCOC(=O)C(=O)C1=CC=CC=C1
| PubChem CID | 15349 |
|---|---|
| CAS | 1603-79-8 |
| Molecular Weight (g/mol) | 178.19 |
| ChEBI | CHEBI:84260 |
| MDL Number | MFCD00009120 |
| SMILES | CCOC(=O)C(=O)C1=CC=CC=C1 |
| Synonym | ethyl benzoylformate,ethyl phenylglyoxylate,ethyl oxophenylacetate,ethylbenzoylformate,phenylglyoxylic acid ethyl ester,ethyl oxo phenyl acetate,benzeneacetic acid, .alpha.-oxo-, ethyl ester,benzoylformic acid ethyl ester,ethyl benzoyl formate,glyoxylic acid, phenyl-, ethyl ester |
| IUPAC Name | ethyl 2-oxo-2-phenylacetate |
| InChI Key | QKLCQKPAECHXCQ-UHFFFAOYSA-N |
| Molecular Formula | C10H10O3 |
4-Ethylbenzoic acid, 97%
CAS: 619-64-7 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00002570 InChI Key: ZQVKTHRQIXSMGY-UHFFFAOYSA-N Synonym: benzoic acid, 4-ethyl,p-ethylbenzoic acid,4-ethyl benzoic acid,4-ethyl-benzoic acid,unii-9tkm8p0g6r,9tkm8p0g6r,p-ethylbenzoate,4-ethyl benzoate,4-ethylbenzoicacid,p-ethylbenzoic acid; PubChem CID: 12086 IUPAC Name: 4-ethylbenzoic acid SMILES: CCC1=CC=C(C=C1)C(=O)O
| PubChem CID | 12086 |
|---|---|
| CAS | 619-64-7 |
| Molecular Weight (g/mol) | 150.18 |
| MDL Number | MFCD00002570 |
| SMILES | CCC1=CC=C(C=C1)C(=O)O |
| Synonym | benzoic acid, 4-ethyl,p-ethylbenzoic acid,4-ethyl benzoic acid,4-ethyl-benzoic acid,unii-9tkm8p0g6r,9tkm8p0g6r,p-ethylbenzoate,4-ethyl benzoate,4-ethylbenzoicacid,p-ethylbenzoic acid; |
| IUPAC Name | 4-ethylbenzoic acid |
| InChI Key | ZQVKTHRQIXSMGY-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
Clotrimazole, Powder, USP, 98-102%, Spectrum™ Chemical
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CAS: 23593-75-1 Molecular Formula: C22H17ClN2 Molecular Weight (g/mol): 344.84 InChI Key: VNFPBHJOKIVQEB-UHFFFAOYSA-N IUPAC Name: 1-[(2-chlorophenyl)diphenylmethyl]-1H-imidazole SMILES: ClC1=CC=CC=C1C(N1C=CN=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| CAS | 23593-75-1 |
|---|---|
| Molecular Weight (g/mol) | 344.84 |
| SMILES | ClC1=CC=CC=C1C(N1C=CN=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| IUPAC Name | 1-[(2-chlorophenyl)diphenylmethyl]-1H-imidazole |
| InChI Key | VNFPBHJOKIVQEB-UHFFFAOYSA-N |
| Molecular Formula | C22H17ClN2 |
2-chloro-4-(trifluoromethyl)benzene-1-sulfonyl chloride, 97%, Thermo Scientific™
CAS: 175205-54-6 Molecular Formula: C7H3Cl2F3O2S Molecular Weight (g/mol): 279.05 MDL Number: MFCD00052912 InChI Key: NJXDBSSSDPOAFI-UHFFFAOYSA-N Synonym: 2-chloro-4-trifluoromethyl benzene-1-sulfonyl chloride,2-chloro-4-trifluoromethyl benzenesulfonyl chloride,2-chloro-4-trifluoromethyl benzenesulphonylchloride,2-chloro-4-trifluoromethyl benzenesulphonyl chloride,2-chloro-4-trifluoromethyl benzenesulfonylchloride,2-chloro-4-trifluoromethyl benzenesulfonyl,2-chloro-4-trifluoromethyl-benzenesulfonyl chloride,benzenesulfonyl chloride, 2-chloro-4-trifluoromethyl,pubchem5104,acmc-1bwmt PubChem CID: 2736675 SMILES: FC(F)(F)C1=CC(Cl)=C(C=C1)S(Cl)(=O)=O
| PubChem CID | 2736675 |
|---|---|
| CAS | 175205-54-6 |
| Molecular Weight (g/mol) | 279.05 |
| MDL Number | MFCD00052912 |
| SMILES | FC(F)(F)C1=CC(Cl)=C(C=C1)S(Cl)(=O)=O |
| Synonym | 2-chloro-4-trifluoromethyl benzene-1-sulfonyl chloride,2-chloro-4-trifluoromethyl benzenesulfonyl chloride,2-chloro-4-trifluoromethyl benzenesulphonylchloride,2-chloro-4-trifluoromethyl benzenesulphonyl chloride,2-chloro-4-trifluoromethyl benzenesulfonylchloride,2-chloro-4-trifluoromethyl benzenesulfonyl,2-chloro-4-trifluoromethyl-benzenesulfonyl chloride,benzenesulfonyl chloride, 2-chloro-4-trifluoromethyl,pubchem5104,acmc-1bwmt |
| InChI Key | NJXDBSSSDPOAFI-UHFFFAOYSA-N |
| Molecular Formula | C7H3Cl2F3O2S |
[2-(1H-1,2,4-Triazol-1-ylmethyl)phenyl]methanol, 97%, Thermo Scientific™
CAS: 884507-25-9 Molecular Formula: C10H11N3O Molecular Weight (g/mol): 189.218 MDL Number: MFCD09025844 InChI Key: OYFLAXVFVKLQPM-UHFFFAOYSA-N Synonym: 2-1h-1,2,4-triazol-1-ylmethyl phenyl methanol,2-1,2,4-triazol-1-ylmethyl phenyl methanol,2-1h-1,2,4-triazol-1-yl methyl phenyl methanol,2-1,2,4-triazolylmethyl phenyl methan-1-ol PubChem CID: 18525816 IUPAC Name: [2-(1,2,4-triazol-1-ylmethyl)phenyl]methanol SMILES: C1=CC=C(C(=C1)CN2C=NC=N2)CO
| PubChem CID | 18525816 |
|---|---|
| CAS | 884507-25-9 |
| Molecular Weight (g/mol) | 189.218 |
| MDL Number | MFCD09025844 |
| SMILES | C1=CC=C(C(=C1)CN2C=NC=N2)CO |
| Synonym | 2-1h-1,2,4-triazol-1-ylmethyl phenyl methanol,2-1,2,4-triazol-1-ylmethyl phenyl methanol,2-1h-1,2,4-triazol-1-yl methyl phenyl methanol,2-1,2,4-triazolylmethyl phenyl methan-1-ol |
| IUPAC Name | [2-(1,2,4-triazol-1-ylmethyl)phenyl]methanol |
| InChI Key | OYFLAXVFVKLQPM-UHFFFAOYSA-N |
| Molecular Formula | C10H11N3O |
p-Aminobenzoic acid, 99.82%, MP Biomedicals™
CAS: 150-13-0 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00007894 InChI Key: ALYNCZNDIQEVRV-UHFFFAOYSA-N Synonym: p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino PubChem CID: 978 ChEBI: CHEBI:30753 IUPAC Name: 4-aminobenzoic acid SMILES: NC1=CC=C(C=C1)C(O)=O
| PubChem CID | 978 |
|---|---|
| CAS | 150-13-0 |
| Molecular Weight (g/mol) | 137.14 |
| ChEBI | CHEBI:30753 |
| MDL Number | MFCD00007894 |
| SMILES | NC1=CC=C(C=C1)C(O)=O |
| Synonym | p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino |
| IUPAC Name | 4-aminobenzoic acid |
| InChI Key | ALYNCZNDIQEVRV-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
4-Bromo-2-(trifluoromethyl)phenol, 99%
CAS: 50824-04-9 Molecular Formula: C7H4BrF3O Molecular Weight (g/mol): 241.007 MDL Number: MFCD05668981 InChI Key: PDPGERGWEOJVDC-UHFFFAOYSA-N Synonym: 4-bromo-2-trifluoromethyl phenol,4-bromo-2-trifluoromethyl benzenol,5-bromo-2-hydroxybenzotrifluoride,o-cresol, 4-bromo-alpha,alpha,alpha-trifluoro,4-bromo-2-trifluoromethyl-phenol,phenol, 4-bromo-2-trifluoromethyl,pubchem18454,acmc-209kqd,bromotrifluoromethylbenzenol,ksc490k9d PubChem CID: 142784 IUPAC Name: 4-bromo-2-(trifluoromethyl)phenol SMILES: C1=CC(=C(C=C1Br)C(F)(F)F)O
| PubChem CID | 142784 |
|---|---|
| CAS | 50824-04-9 |
| Molecular Weight (g/mol) | 241.007 |
| MDL Number | MFCD05668981 |
| SMILES | C1=CC(=C(C=C1Br)C(F)(F)F)O |
| Synonym | 4-bromo-2-trifluoromethyl phenol,4-bromo-2-trifluoromethyl benzenol,5-bromo-2-hydroxybenzotrifluoride,o-cresol, 4-bromo-alpha,alpha,alpha-trifluoro,4-bromo-2-trifluoromethyl-phenol,phenol, 4-bromo-2-trifluoromethyl,pubchem18454,acmc-209kqd,bromotrifluoromethylbenzenol,ksc490k9d |
| IUPAC Name | 4-bromo-2-(trifluoromethyl)phenol |
| InChI Key | PDPGERGWEOJVDC-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrF3O |