[1-ethanoylsulfanyl-3-(4-nitrophenoxy)propan-2-yl] ethanoate

Systemtic Name: [1-ethanoylsulfanyl-3-(4-nitrophenoxy)propan-2-yl] ethanoate Openeye Name: [1-(acetylsulfanylmethyl)-2-(4-nitrophenoxy)ethyl] acetate CAS Name: acetic acid [1-(acetylthio)-3-(4-nitrophenoxy)propan-2-yl] ester IUPAC Name: [1-acetylsulfanyl-3-(4-nitrophenoxy)propan-2-yl] acetate Traditional Name: acetic acid [1-[(acetylthio)methyl]-2-(4-nitrophenoxy)ethyl] ester Formula: C13H15NO6S MolecularWeight: 313.3263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO6S/c1-9(15)20-13(8-21-10(2)16)7-19-12-5-3-11(4-6-12)14(17)18/h3-6,13H,7-8H2,1-2H3