3-[(4-nitrophenyl)sulfanylmethyl]benzoic acid

Systemtic Name: 3-[(4-nitrophenyl)sulfanylmethyl]benzoic acid Openeye Name: 3-[(4-nitrophenyl)sulfanylmethyl]benzoic acid CAS Name: 3-[[(4-nitrophenyl)thio]methyl]benzoic acid IUPAC Name: 3-[(4-nitrophenyl)sulfanylmethyl]benzoic acid Traditional Name: 3-[[(4-nitrophenyl)thio]methyl]benzoic acid Formula: C14H11NO4S MolecularWeight: 289.30644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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