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

Systemtic Name: [1-(2,4-dinitrophenoxy)-3-sulfanyl-propan-2-yl] ethanoate Openeye Name: [1-[(2,4-dinitrophenoxy)methyl]-2-sulfanyl-ethyl] acetate CAS Name: acetic acid [1-(2,4-dinitrophenoxy)-3-mercaptopropan-2-yl] ester IUPAC Name: [1-(2,4-dinitrophenoxy)-3-sulfanylpropan-2-yl] acetate Traditional Name: acetic acid [1-[(2,4-dinitrophenoxy)methyl]-2-mercapto-ethyl] ester Formula: C11H12N2O7S MolecularWeight: 316.28718

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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-])CS

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O7S/c1-7(14)20-9(6-21)5-19-11-3-2-8(12(15)16)4-10(11)13(17)18/h2-4,9,21H,5-6H2,1H3