2-(4-methyl-2-nitro-phenyl)sulfanylbenzoic acid

Systemtic Name: 2-(4-methyl-2-nitro-phenyl)sulfanylbenzoic acid Openeye Name: 2-(4-methyl-2-nitro-phenyl)sulfanylbenzoic acid CAS Name: 2-[(4-methyl-2-nitrophenyl)thio]benzoic acid IUPAC Name: 2-(4-methyl-2-nitrophenyl)sulfanylbenzoic acid Traditional Name: 2-[(4-methyl-2-nitro-phenyl)thio]benzoic acid Formula: C14H11NO4S MolecularWeight: 289.30644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SC2=CC=CC=C2C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)SC2=CC=CC=C2C(=O)O)[N+](=O)[O-]

InChI

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