2-(4-nitrophenyl)sulfanylbenzoic acid

Systemtic Name: 2-(4-nitrophenyl)sulfanylbenzoic acid Openeye Name: 2-(4-nitrophenyl)sulfanylbenzoic acid CAS Name: 2-[(4-nitrophenyl)thio]benzoic acid IUPAC Name: 2-(4-nitrophenyl)sulfanylbenzoic acid Traditional Name: 2-[(4-nitrophenyl)thio]benzoic acid Formula: C13H9NO4S MolecularWeight: 275.27986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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