(2,6-dinitrophenyl)methyl 4-(trifluoromethyl)benzenesulfonate

Systemtic Name: (2,6-dinitrophenyl)methyl 4-(trifluoromethyl)benzenesulfonate Openeye Name: (2,6-dinitrophenyl)methyl 4-(trifluoromethyl)benzenesulfonate CAS Name: 4-(trifluoromethyl)benzenesulfonic acid (2,6-dinitrophenyl)methyl ester IUPAC Name: (2,6-dinitrophenyl)methyl 4-(trifluoromethyl)benzenesulfonate Traditional Name: 4-(trifluoromethyl)benzenesulfonic acid (2,6-dinitrobenzyl) ester Formula: C14H9F3N2O7S MolecularWeight: 406.29067

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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