methyl 2-[3-(diethylamino)-2,4-dinitro-6-(trifluoromethyl)phenyl]sulfanylethanoate

Systemtic Name: methyl 2-[3-(diethylamino)-2,4-dinitro-6-(trifluoromethyl)phenyl]sulfanylethanoate Openeye Name: methyl 2-[3-(diethylamino)-2,4-dinitro-6-(trifluoromethyl)phenyl]sulfanylacetate CAS Name: 2-[[3-(diethylamino)-2,4-dinitro-6-(trifluoromethyl)phenyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[3-(diethylamino)-2,4-dinitro-6-(trifluoromethyl)phenyl]sulfanylacetate Traditional Name: 2-[[3-(diethylamino)-2,4-dinitro-6-(trifluoromethyl)phenyl]thio]acetic acid methyl ester Formula: C14H16F3N3O6S MolecularWeight: 411.35355

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C(=C1[N+](=O)[O-])SCC(=O)OC)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C1=C(C=C(C(=C1[N+](=O)[O-])SCC(=O)OC)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H16F3N3O6S/c1-4-18(5-2)11-9(19(22)23)6-8(14(15,16)17)13(12(11)20(24)25)27-7-10(21)26-3/h6H,4-5,7H2,1-3H3