(2,6-dinitrophenyl)methyl [3-(trifluoromethyl)phenyl] sulfite

Systemtic Name: (2,6-dinitrophenyl)methyl [3-(trifluoromethyl)phenyl] sulfite Openeye Name: (2,6-dinitrophenyl)methyl [3-(trifluoromethyl)phenyl] sulfite CAS Name: sulfurous acid (2,6-dinitrophenyl)methyl [3-(trifluoromethyl)phenyl] ester IUPAC Name: (2,6-dinitrophenyl)methyl [3-(trifluoromethyl)phenyl] sulfite Traditional Name: sulfurous acid (2,6-dinitrobenzyl) [3-(trifluoromethyl)phenyl] ester Formula: C14H9F3N2O7S MolecularWeight: 406.29067

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OS(=O)OCC2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)OS(=O)OCC2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C14H9F3N2O7S/c15-14(16,17)9-3-1-4-10(7-9)26-27(24)25-8-11-12(18(20)21)5-2-6-13(11)19(22)23/h1-7H,8H2