[4-[3,3,4,4,5,5,6,6,7,7,8,8,8-tridecakis(fluoranyl)octyl]phenyl]methyl (E)-hex-2-enoate

Systemtic Name: [4-[3,3,4,4,5,5,6,6,7,7,8,8,8-tridecakis(fluoranyl)octyl]phenyl]methyl (E)-hex-2-enoate Openeye Name: [4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phenyl]methyl (E)-hex-2-enoate CAS Name: (E)-2-hexenoic acid [4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phenyl]methyl ester IUPAC Name: [4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phenyl]methyl (E)-hex-2-enoate Traditional Name: (E)-hex-2-enoic acid [4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)benzyl] ester Formula: C21H19F13O2 MolecularWeight: 550.353602

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=CC(=O)OCC1=CC=C(C=C1)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Isomeric SMILES

CCC/C=C/C(=O)OCC1=CC=C(C=C1)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C21H19F13O2/c1-2-3-4-5-15(35)36-12-14-8-6-13(7-9-14)10-11-16(22,23)17(24,25)18(26,27)19(28,29)20(30,31)21(32,33)34/h4-9H,2-3,10-12H2,1H3/b5-4+