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

Systemtic Name: [2,2-bis(trifluoromethyl)aziridin-1-yl] 4-methylbenzenesulfonate Openeye Name: [2,2-bis(trifluoromethyl)aziridin-1-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2,2-bis(trifluoromethyl)-1-aziridinyl] ester IUPAC Name: [2,2-bis(trifluoromethyl)aziridin-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2,2-bis(trifluoromethyl)ethylenimin-1-yl] ester Formula: C11H9F6NO3S MolecularWeight: 349.249479

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON2CC2(C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON2CC2(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C11H9F6NO3S/c1-7-2-4-8(5-3-7)22(19,20)21-18-6-9(18,10(12,13)14)11(15,16)17/h2-5H,6H2,1H3