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

Systemtic Name: [(Z)-4-ethyl-1,1,1,2-tetrakis(fluoranyl)-4-oxidanyl-hex-2-en-3-yl] 4-methylbenzenesulfonate Openeye Name: [(1Z)-2-ethyl-2-hydroxy-1-(1,2,2,2-tetrafluoroethylidene)butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-4-ethyl-1,1,1,2-tetrafluoro-4-hydroxyhex-2-en-3-yl] ester IUPAC Name: [(Z)-4-ethyl-1,1,1,2-tetrafluoro-4-hydroxyhex-2-en-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-1-(1-ethyl-1-hydroxy-propyl)-2,3,3,3-tetrafluoro-prop-1-enyl] ester Formula: C15H18F4O4S MolecularWeight: 370.359633

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18F4O4S/c1-4-14(20,5-2)13(12(16)15(17,18)19)23-24(21,22)11-8-6-10(3)7-9-11/h6-9,20H,4-5H2,1-3H3/b13-12-