2-ethanoylsulfanyl-2-(2-nitro-4-phenyl-phenyl)propanoic acid

Systemtic Name: 2-ethanoylsulfanyl-2-(2-nitro-4-phenyl-phenyl)propanoic acid Openeye Name: 2-acetylsulfanyl-2-(2-nitro-4-phenyl-phenyl)propanoic acid CAS Name: 2-(acetylthio)-2-(2-nitro-4-phenylphenyl)propanoic acid IUPAC Name: 2-acetylsulfanyl-2-(2-nitro-4-phenylphenyl)propanoic acid Traditional Name: 2-(acetylthio)-2-(2-nitro-4-phenyl-phenyl)propionic acid Formula: C17H15NO5S MolecularWeight: 345.3697

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO5S/c1-11(19)24-17(2,16(20)21)14-9-8-13(10-15(14)18(22)23)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,20,21)