2-[(4-nitrophenyl)sulfanylmethyl]benzoic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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