2-(ethanoylsulfanylmethyl)-3-(4-nitrophenyl)propanoic acid

Systemtic Name: 2-(ethanoylsulfanylmethyl)-3-(4-nitrophenyl)propanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-(4-nitrophenyl)propanoic acid CAS Name: 2-[(acetylthio)methyl]-3-(4-nitrophenyl)propanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-(4-nitrophenyl)propanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-(4-nitrophenyl)propionic acid Formula: C12H13NO5S MolecularWeight: 283.30032

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(=O)SCC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H13NO5S/c1-8(14)19-7-10(12(15)16)6-9-2-4-11(5-3-9)13(17)18/h2-5,10H,6-7H2,1H3,(H,15,16)