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

Systemtic Name: [1-(2,4-dinitrophenoxy)-3-ethanoylsulfanyl-propan-2-yl] ethanoate Openeye Name: [1-(acetylsulfanylmethyl)-2-(2,4-dinitrophenoxy)ethyl] acetate CAS Name: acetic acid [1-(acetylthio)-3-(2,4-dinitrophenoxy)propan-2-yl] ester IUPAC Name: [1-acetylsulfanyl-3-(2,4-dinitrophenoxy)propan-2-yl] acetate Traditional Name: acetic acid [1-[(acetylthio)methyl]-2-(2,4-dinitrophenoxy)ethyl] ester Formula: C13H14N2O8S MolecularWeight: 358.32386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O8S/c1-8(16)23-11(7-24-9(2)17)6-22-13-4-3-10(14(18)19)5-12(13)15(20)21/h3-5,11H,6-7H2,1-2H3