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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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