4-(3-nitrophenyl)sulfanylbenzoic acid

Systemtic Name: 4-(3-nitrophenyl)sulfanylbenzoic acid Openeye Name: 4-(3-nitrophenyl)sulfanylbenzoic acid CAS Name: 4-[(3-nitrophenyl)thio]benzoic acid IUPAC Name: 4-(3-nitrophenyl)sulfanylbenzoic acid Traditional Name: 4-[(3-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)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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