O-ethyl [2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanylmethanethioate

Systemtic Name: O-ethyl [2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanylmethanethioate Openeye Name: O-ethyl [2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanylmethanethioate CAS Name: [[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl [2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanylmethanethioate Traditional Name: [[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]methanethioic acid O-ethyl ester Formula: C10H7F3N2O5S2 MolecularWeight: 356.29819

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=S)SC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C10H7F3N2O5S2/c1-2-20-9(21)22-8-6(14(16)17)3-5(10(11,12)13)4-7(8)15(18)19/h3-4H,2H2,1H3