[(Z)-1,1,2-tris(fluoranyl)-4-oxidanyl-hex-2-en-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [(Z)-1,1,2-tris(fluoranyl)-4-oxidanyl-hex-2-en-3-yl] 4-methylbenzenesulfonate Openeye Name: [(1Z)-2-hydroxy-1-(1,2,2-trifluoroethylidene)butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-1,1,2-trifluoro-4-hydroxyhex-2-en-3-yl] ester IUPAC Name: [(Z)-1,1,2-trifluoro-4-hydroxyhex-2-en-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-2,3,3-trifluoro-1-(1-hydroxypropyl)prop-1-enyl] ester Formula: C13H15F3O4S MolecularWeight: 324.31601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15F3O4S/c1-3-10(17)12(11(14)13(15)16)20-21(18,19)9-6-4-8(2)5-7-9/h4-7,10,13,17H,3H2,1-2H3/b12-11-