[4-ethyl-1,1-bis(fluoranyl)-2-oxidanylidene-hex-3-en-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [4-ethyl-1,1-bis(fluoranyl)-2-oxidanylidene-hex-3-en-3-yl] 4-methylbenzenesulfonate Openeye Name: [1-(2,2-difluoroacetyl)-2-ethyl-but-1-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-ethyl-1,1-difluoro-2-oxohex-3-en-3-yl) ester IUPAC Name: (4-ethyl-1,1-difluoro-2-oxohex-3-en-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-(2,2-difluoroacetyl)-2-ethyl-but-1-enyl] ester Formula: C15H18F2O4S MolecularWeight: 332.362826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C(=O)C(F)F)OS(=O)(=O)C1=CC=C(C=C1)C)CC

Isomeric SMILES

CCC(=C(C(=O)C(F)F)OS(=O)(=O)C1=CC=C(C=C1)C)CC

InChI

InChI=1S/C15H18F2O4S/c1-4-11(5-2)14(13(18)15(16)17)21-22(19,20)12-8-6-10(3)7-9-12/h6-9,15H,4-5H2,1-3H3