2-(2-methyl-3-nitro-phenyl)sulfanylbenzoic acid

Systemtic Name: 2-(2-methyl-3-nitro-phenyl)sulfanylbenzoic acid Openeye Name: 2-(2-methyl-3-nitro-phenyl)sulfanylbenzoic acid CAS Name: 2-[(2-methyl-3-nitrophenyl)thio]benzoic acid IUPAC Name: 2-(2-methyl-3-nitrophenyl)sulfanylbenzoic acid Traditional Name: 2-[(2-methyl-3-nitro-phenyl)thio]benzoic acid Formula: C14H11NO4S MolecularWeight: 289.30644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SC2=CC=CC=C2C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1SC2=CC=CC=C2C(=O)O)[N+](=O)[O-]

InChI

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