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

Systemtic Name: [(Z)-4,4,4-tris(fluoranyl)-3-oxidanylidene-1-thiophen-2-yl-but-1-en-2-yl] 4-methylbenzenesulfonate Openeye Name: [(1Z)-3,3,3-trifluoro-2-oxo-1-(2-thienylmethylene)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbut-1-en-2-yl] ester IUPAC Name: [(Z)-4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbut-1-en-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-2-(2-thienyl)-1-(2,2,2-trifluoroacetyl)vinyl] ester Formula: C15H11F3O4S2 MolecularWeight: 376.37065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11F3O4S2/c1-10-4-6-12(7-5-10)24(20,21)22-13(14(19)15(16,17)18)9-11-3-2-8-23-11/h2-9H,1H3/b13-9-