2-ethanoylsulfanyl-2-[4-(2-nitrophenyl)phenyl]ethanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)SC(C1=CC=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)12-8-6-11(7-9-12)13-4-2-3-5-14(13)17(21)22/h2-9,15H,1H3,(H,19,20)