3-(4-nitrophenyl)sulfanylbenzoic acid

Systemtic Name: 3-(4-nitrophenyl)sulfanylbenzoic acid Openeye Name: 3-(4-nitrophenyl)sulfanylbenzoic acid CAS Name: 3-[(4-nitrophenyl)thio]benzoic acid IUPAC Name: 3-(4-nitrophenyl)sulfanylbenzoic acid Traditional Name: 3-[(4-nitrophenyl)thio]benzoic acid Formula: C13H9NO4S MolecularWeight: 275.27986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9NO4S/c15-13(16)9-2-1-3-12(8-9)19-11-6-4-10(5-7-11)14(17)18/h1-8H,(H,15,16)