[(Z)-4,4-bis(fluoranyl)-3-oxidanylidene-1-thiophen-2-yl-but-1-en-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [(Z)-4,4-bis(fluoranyl)-3-oxidanylidene-1-thiophen-2-yl-but-1-en-2-yl] 4-methylbenzenesulfonate Openeye Name: [(1Z)-3,3-difluoro-2-oxo-1-(2-thienylmethylene)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-4,4-difluoro-3-oxo-1-thiophen-2-ylbut-1-en-2-yl] ester IUPAC Name: [(Z)-4,4-difluoro-3-oxo-1-thiophen-2-ylbut-1-en-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-1-(2,2-difluoroacetyl)-2-(2-thienyl)vinyl] ester Formula: C15H12F2O4S2 MolecularWeight: 358.380186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(=CC2=CC=CS2)C(=O)C(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/C(=C\C2=CC=CS2)/C(=O)C(F)F

InChI

InChI=1S/C15H12F2O4S2/c1-10-4-6-12(7-5-10)23(19,20)21-13(14(18)15(16)17)9-11-3-2-8-22-11/h2-9,15H,1H3/b13-9-