4-(4-methylphenyl)sulfanyl-3-nitro-benzoic acid

Systemtic Name: 4-(4-methylphenyl)sulfanyl-3-nitro-benzoic acid Openeye Name: 3-nitro-4-(p-tolylsulfanyl)benzoic acid CAS Name: 4-[(4-methylphenyl)thio]-3-nitrobenzoic acid IUPAC Name: 4-(4-methylphenyl)sulfanyl-3-nitrobenzoic acid Traditional Name: 3-nitro-4-(p-tolylthio)benzoic acid Formula: C14H11NO4S MolecularWeight: 289.30644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H11NO4S/c1-9-2-5-11(6-3-9)20-13-7-4-10(14(16)17)8-12(13)15(18)19/h2-8H,1H3,(H,16,17)