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

Systemtic Name: 2-[2-nitro-4-(phenylcarbonyl)phenyl]sulfanylethanoic acid Openeye Name: 2-(4-benzoyl-2-nitro-phenyl)sulfanylacetic acid CAS Name: 2-[(4-benzoyl-2-nitrophenyl)thio]acetic acid IUPAC Name: 2-(4-benzoyl-2-nitrophenyl)sulfanylacetic acid Traditional Name: 2-[(4-benzoyl-2-nitro-phenyl)thio]acetic acid Formula: C15H11NO5S MolecularWeight: 317.31654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11NO5S/c17-14(18)9-22-13-7-6-11(8-12(13)16(20)21)15(19)10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18)