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

Systemtic Name: 2-(ethanoylsulfanylmethyl)-3-(4-nitrophenoxy)propanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-(4-nitrophenoxy)propanoic acid CAS Name: 2-[(acetylthio)methyl]-3-(4-nitrophenoxy)propanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-(4-nitrophenoxy)propanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-(4-nitrophenoxy)propionic acid Formula: C12H13NO6S MolecularWeight: 299.29972

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(COC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(=O)SCC(COC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H13NO6S/c1-8(14)20-7-9(12(15)16)6-19-11-4-2-10(3-5-11)13(17)18/h2-5,9H,6-7H2,1H3,(H,15,16)