(2-methyl-6-nitro-phenyl)methyl 3,5-bis(trifluoromethyl)benzenesulfonate

Systemtic Name: (2-methyl-6-nitro-phenyl)methyl 3,5-bis(trifluoromethyl)benzenesulfonate Openeye Name: (2-methyl-6-nitro-phenyl)methyl 3,5-bis(trifluoromethyl)benzenesulfonate CAS Name: 3,5-bis(trifluoromethyl)benzenesulfonic acid (2-methyl-6-nitrophenyl)methyl ester IUPAC Name: (2-methyl-6-nitrophenyl)methyl 3,5-bis(trifluoromethyl)benzenesulfonate Traditional Name: 3,5-bis(trifluoromethyl)benzenesulfonic acid (2-methyl-6-nitro-benzyl) ester Formula: C16H11F6NO5S MolecularWeight: 443.317659

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11F6NO5S/c1-9-3-2-4-14(23(24)25)13(9)8-28-29(26,27)12-6-10(15(17,18)19)5-11(7-12)16(20,21)22/h2-7H,8H2,1H3