[3-methyl-2,2-bis(trifluoromethyl)aziridin-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [3-methyl-2,2-bis(trifluoromethyl)aziridin-1-yl] 4-methylbenzenesulfonate Openeye Name: [3-methyl-2,2-bis(trifluoromethyl)aziridin-1-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-methyl-2,2-bis(trifluoromethyl)-1-aziridinyl] ester IUPAC Name: [3-methyl-2,2-bis(trifluoromethyl)aziridin-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-methyl-2,2-bis(trifluoromethyl)ethylenimin-1-yl] ester Formula: C12H11F6NO3S MolecularWeight: 363.276059

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N1OS(=O)(=O)C2=CC=C(C=C2)C)(C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1C(N1OS(=O)(=O)C2=CC=C(C=C2)C)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C12H11F6NO3S/c1-7-3-5-9(6-4-7)23(20,21)22-19-8(2)10(19,11(13,14)15)12(16,17)18/h3-6,8H,1-2H3