5-methyl-2-(2-nitrophenyl)sulfanyl-benzoic acid

Systemtic Name: 5-methyl-2-(2-nitrophenyl)sulfanyl-benzoic acid Openeye Name: 5-methyl-2-(2-nitrophenyl)sulfanyl-benzoic acid CAS Name: 5-methyl-2-[(2-nitrophenyl)thio]benzoic acid IUPAC Name: 5-methyl-2-(2-nitrophenyl)sulfanylbenzoic acid Traditional Name: 5-methyl-2-[(2-nitrophenyl)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=C2[N+](=O)[O-])C(=O)O

Isomeric SMILES

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

InChI

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