[4-[1-(2-methyl-3-oxidanylidene-1H-isoindol-1-yl)but-3-enyl]phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [4-[1-(2-methyl-3-oxidanylidene-1H-isoindol-1-yl)but-3-enyl]phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [4-[1-(2-methyl-3-oxo-isoindolin-1-yl)but-3-enyl]phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [4-[1-(2-methyl-3-oxo-1H-isoindol-1-yl)but-3-enyl]phenyl] ester IUPAC Name: [4-[1-(2-methyl-3-oxo-1H-isoindol-1-yl)but-3-enyl]phenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-[1-(3-keto-2-methyl-isoindolin-1-yl)but-3-enyl]phenyl] ester Formula: C20H18F3NO4S MolecularWeight: 425.42143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(C2=CC=CC=C2C1=O)C(CC=C)C3=CC=C(C=C3)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CN1C(C2=CC=CC=C2C1=O)C(CC=C)C3=CC=C(C=C3)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C20H18F3NO4S/c1-3-6-15(18-16-7-4-5-8-17(16)19(25)24(18)2)13-9-11-14(12-10-13)28-29(26,27)20(21,22)23/h3-5,7-12,15,18H,1,6H2,2H3