2-[2-nitro-4-(phenylcarbonyl)phenyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-nitro-4-(phenylcarbonyl)phenyl]sulfanylbenzoic acid Openeye Name: 2-(4-benzoyl-2-nitro-phenyl)sulfanylbenzoic acid CAS Name: 2-[(4-benzoyl-2-nitrophenyl)thio]benzoic acid IUPAC Name: 2-(4-benzoyl-2-nitrophenyl)sulfanylbenzoic acid Traditional Name: 2-[(4-benzoyl-2-nitro-phenyl)thio]benzoic acid Formula: C20H13NO5S MolecularWeight: 379.38592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C20H13NO5S/c22-19(13-6-2-1-3-7-13)14-10-11-18(16(12-14)21(25)26)27-17-9-5-4-8-15(17)20(23)24/h1-12H,(H,23,24)