bis[2,2,2-tris(fluoranyl)ethyl] 2-[(E)-3-(cyclohexen-1-yl)but-2-enyl]-2-(phenylmethyl)propanedioate

Systemtic Name: bis[2,2,2-tris(fluoranyl)ethyl] 2-[(E)-3-(cyclohexen-1-yl)but-2-enyl]-2-(phenylmethyl)propanedioate Openeye Name: bis(2,2,2-trifluoroethyl) 2-benzyl-2-[(E)-3-(cyclohexen-1-yl)but-2-enyl]propanedioate CAS Name: 2-[(E)-3-(1-cyclohexenyl)but-2-enyl]-2-(phenylmethyl)propanedioic acid bis(2,2,2-trifluoroethyl) ester IUPAC Name: bis(2,2,2-trifluoroethyl) 2-benzyl-2-[(E)-3-(cyclohexen-1-yl)but-2-enyl]propanedioate Traditional Name: 2-benzyl-2-[(E)-3-(cyclohexen-1-yl)but-2-enyl]malonic acid bis(2,2,2-trifluoroethyl) ester Formula: C24H26F6O4 MolecularWeight: 492.451259

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC(CC1=CC=CC=C1)(C(=O)OCC(F)(F)F)C(=O)OCC(F)(F)F)C2=CCCCC2

Isomeric SMILES

C/C(=C\CC(CC1=CC=CC=C1)(C(=O)OCC(F)(F)F)C(=O)OCC(F)(F)F)/C2=CCCCC2

InChI

InChI=1S/C24H26F6O4/c1-17(19-10-6-3-7-11-19)12-13-22(14-18-8-4-2-5-9-18,20(31)33-15-23(25,26)27)21(32)34-16-24(28,29)30/h2,4-5,8-10,12H,3,6-7,11,13-16H2,1H3/b17-12+