3-(5-methoxy-2-nitro-phenyl)sulfanylbenzoic acid

Systemtic Name: 3-(5-methoxy-2-nitro-phenyl)sulfanylbenzoic acid Openeye Name: 3-(5-methoxy-2-nitro-phenyl)sulfanylbenzoic acid CAS Name: 3-[(5-methoxy-2-nitrophenyl)thio]benzoic acid IUPAC Name: 3-(5-methoxy-2-nitrophenyl)sulfanylbenzoic acid Traditional Name: 3-[(5-methoxy-2-nitro-phenyl)thio]benzoic acid Formula: C14H11NO5S MolecularWeight: 305.30584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)[N+](=O)[O-])SC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)[N+](=O)[O-])SC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C14H11NO5S/c1-20-10-5-6-12(15(18)19)13(8-10)21-11-4-2-3-9(7-11)14(16)17/h2-8H,1H3,(H,16,17)