2-(3-nitro-4-phenylsulfanyl-phenyl)carbonylbenzoic acid

Systemtic Name: 2-(3-nitro-4-phenylsulfanyl-phenyl)carbonylbenzoic acid Openeye Name: 2-(3-nitro-4-phenylsulfanyl-benzoyl)benzoic acid CAS Name: 2-[[3-nitro-4-(phenylthio)phenyl]-oxomethyl]benzoic acid IUPAC Name: 2-(3-nitro-4-phenylsulfanylbenzoyl)benzoic acid Traditional Name: 2-[3-nitro-4-(phenylthio)benzoyl]benzoic acid Formula: C20H13NO5S MolecularWeight: 379.38592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O)[N+](=O)[O-]

InChI

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