3-azanyl-4-(4-methylphenyl)sulfanyl-5-sulfanyl-benzoic acid

Systemtic Name: 3-azanyl-4-(4-methylphenyl)sulfanyl-5-sulfanyl-benzoic acid Openeye Name: 3-amino-4-(p-tolylsulfanyl)-5-sulfanyl-benzoic acid CAS Name: 3-amino-5-mercapto-4-[(4-methylphenyl)thio]benzoic acid IUPAC Name: 3-amino-4-(4-methylphenyl)sulfanyl-5-sulfanylbenzoic acid Traditional Name: 3-amino-5-mercapto-4-(p-tolylthio)benzoic acid Formula: C14H13NO2S2 MolecularWeight: 291.38852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2S)C(=O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2S)C(=O)O)N

InChI

InChI=1S/C14H13NO2S2/c1-8-2-4-10(5-3-8)19-13-11(15)6-9(14(16)17)7-12(13)18/h2-7,18H,15H2,1H3,(H,16,17)