1-(2,4-dinitrophenyl)sulfanylpropan-2-yl ethanoate

Systemtic Name: 1-(2,4-dinitrophenyl)sulfanylpropan-2-yl ethanoate Openeye Name: [2-(2,4-dinitrophenyl)sulfanyl-1-methyl-ethyl] acetate CAS Name: acetic acid 1-[(2,4-dinitrophenyl)thio]propan-2-yl ester IUPAC Name: 1-(2,4-dinitrophenyl)sulfanylpropan-2-yl acetate Traditional Name: acetic acid [2-[(2,4-dinitrophenyl)thio]-1-methyl-ethyl] ester Formula: C11H12N2O6S MolecularWeight: 300.28778

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C

Isomeric SMILES

CC(CSC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C

InChI

InChI=1S/C11H12N2O6S/c1-7(19-8(2)14)6-20-11-4-3-9(12(15)16)5-10(11)13(17)18/h3-5,7H,6H2,1-2H3