4-(2-nitrophenyl)sulfanylbenzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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