(2-methyl-6-nitro-phenyl)methyl 4-(trifluoromethylsulfonyloxy)benzenesulfonate

Systemtic Name: (2-methyl-6-nitro-phenyl)methyl 4-(trifluoromethylsulfonyloxy)benzenesulfonate Openeye Name: (2-methyl-6-nitro-phenyl)methyl 4-(trifluoromethylsulfonyloxy)benzenesulfonate CAS Name: 4-(trifluoromethylsulfonyloxy)benzenesulfonic acid (2-methyl-6-nitrophenyl)methyl ester IUPAC Name: (2-methyl-6-nitrophenyl)methyl 4-(trifluoromethylsulfonyloxy)benzenesulfonate Traditional Name: 4-triflyloxybenzenesulfonic acid (2-methyl-6-nitro-benzyl) ester Formula: C15H12F3NO8S2 MolecularWeight: 455.38289

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])COS(=O)(=O)C2=CC=C(C=C2)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])COS(=O)(=O)C2=CC=C(C=C2)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C15H12F3NO8S2/c1-10-3-2-4-14(19(20)21)13(10)9-26-28(22,23)12-7-5-11(6-8-12)27-29(24,25)15(16,17)18/h2-8H,9H2,1H3