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

Systemtic Name: 2-ethanoylsulfanyl-2-(2-nitro-4-phenyl-phenyl)ethanoic acid Openeye Name: 2-acetylsulfanyl-2-(2-nitro-4-phenyl-phenyl)acetic acid CAS Name: 2-(acetylthio)-2-(2-nitro-4-phenylphenyl)acetic acid IUPAC Name: 2-acetylsulfanyl-2-(2-nitro-4-phenylphenyl)acetic acid Traditional Name: 2-(acetylthio)-2-(2-nitro-4-phenyl-phenyl)acetic acid Formula: C16H13NO5S MolecularWeight: 331.34312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO5S/c1-10(18)23-15(16(19)20)13-8-7-12(9-14(13)17(21)22)11-5-3-2-4-6-11/h2-9,15H,1H3,(H,19,20)