(2-nitrophenyl)methyl 4-nitro-2-(trifluoromethyl)benzenesulfonate

Systemtic Name: (2-nitrophenyl)methyl 4-nitro-2-(trifluoromethyl)benzenesulfonate Openeye Name: (2-nitrophenyl)methyl 4-nitro-2-(trifluoromethyl)benzenesulfonate CAS Name: 4-nitro-2-(trifluoromethyl)benzenesulfonic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 4-nitro-2-(trifluoromethyl)benzenesulfonate Traditional Name: 4-nitro-2-(trifluoromethyl)benzenesulfonic acid (2-nitrobenzyl) ester Formula: C14H9F3N2O7S MolecularWeight: 406.29067

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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