2-[(2-nitrophenyl)sulfanylmethyl]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=CC=CC=C2[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=CC=CC=C2[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H11NO4S/c16-14(17)11-6-2-1-5-10(11)9-20-13-8-4-3-7-12(13)15(18)19/h1-8H,9H2,(H,16,17)