2-(4-methylphenyl)sulfanyl-4-nitro-benzoic acid

Systemtic Name: 2-(4-methylphenyl)sulfanyl-4-nitro-benzoic acid Openeye Name: 4-nitro-2-(p-tolylsulfanyl)benzoic acid CAS Name: 2-[(4-methylphenyl)thio]-4-nitrobenzoic acid IUPAC Name: 2-(4-methylphenyl)sulfanyl-4-nitrobenzoic acid Traditional Name: 4-nitro-2-(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=CC(=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

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

InChI

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