[4-(2-cyanoethyl)-2-(2-methylpropyl)phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [4-(2-cyanoethyl)-2-(2-methylpropyl)phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [4-(2-cyanoethyl)-2-isobutyl-phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [4-(2-cyanoethyl)-2-(2-methylpropyl)phenyl] ester IUPAC Name: [4-(2-cyanoethyl)-2-(2-methylpropyl)phenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-(2-cyanoethyl)-2-isobutyl-phenyl] ester Formula: C14H16F3NO3S MolecularWeight: 335.34195

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=CC(=C1)CCC#N)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC(C)CC1=C(C=CC(=C1)CCC#N)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C14H16F3NO3S/c1-10(2)8-12-9-11(4-3-7-18)5-6-13(12)21-22(19,20)14(15,16)17/h5-6,9-10H,3-4,8H2,1-2H3