3-[2-nitro-4-(phenylcarbonyl)phenyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-nitro-4-(phenylcarbonyl)phenyl]sulfanylpropanoic acid Openeye Name: 3-(4-benzoyl-2-nitro-phenyl)sulfanylpropanoic acid CAS Name: 3-[(4-benzoyl-2-nitrophenyl)thio]propanoic acid IUPAC Name: 3-(4-benzoyl-2-nitrophenyl)sulfanylpropanoic acid Traditional Name: 3-[(4-benzoyl-2-nitro-phenyl)thio]propionic acid Formula: C16H13NO5S MolecularWeight: 331.34312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO5S/c18-15(19)8-9-23-14-7-6-12(10-13(14)17(21)22)16(20)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,18,19)