3-(2,4-dinitrophenyl)sulfanylbutan-2-yl ethanoate

Systemtic Name: 3-(2,4-dinitrophenyl)sulfanylbutan-2-yl ethanoate Openeye Name: [2-(2,4-dinitrophenyl)sulfanyl-1-methyl-propyl] acetate CAS Name: acetic acid 3-[(2,4-dinitrophenyl)thio]butan-2-yl ester IUPAC Name: 3-(2,4-dinitrophenyl)sulfanylbutan-2-yl acetate Traditional Name: acetic acid [2-[(2,4-dinitrophenyl)thio]-1-methyl-propyl] ester Formula: C12H14N2O6S MolecularWeight: 314.31436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)SC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C

Isomeric SMILES

CC(C(C)SC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C

InChI

InChI=1S/C12H14N2O6S/c1-7(20-9(3)15)8(2)21-12-5-4-10(13(16)17)6-11(12)14(18)19/h4-8H,1-3H3