1,2,4-trihexyl-3,5,6-tris[(E)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecakis(fluoranyl)oct-1-enyl]benzene

Systemtic Name: 1,2,4-trihexyl-3,5,6-tris[(E)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecakis(fluoranyl)oct-1-enyl]benzene Openeye Name: 1,2,4-trihexyl-3,5,6-tris[(E)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-enyl]benzene CAS Name: 1,2,4-trihexyl-3,5,6-tris[(E)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-enyl]benzene IUPAC Name: 1,2,4-trihexyl-3,5,6-tris[(E)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-enyl]benzene Traditional Name: 1,2,4-trihexyl-3,5,6-tris[(E)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-enyl]benzene Formula: C48H45F39 MolecularWeight: 1362.808625

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=C(C(=C1C=CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCCCC)C=CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C=CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCCCC

Isomeric SMILES

CCCCCCC1=C(C(=C(C(=C1/C=C/C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCCCC)/C=C/C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)/C=C/C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCCCC

InChI

InChI=1S/C48H45F39/c1-4-7-10-13-16-25-26(17-14-11-8-5-2)29(20-23-32(51,52)35(57,58)38(63,64)41(69,70)44(75,76)47(82,83)84)30(21-24-33(53,54)36(59,60)39(65,66)42(71,72)45(77,78)48(85,86)87)27(18-15-12-9-6-3)28(25)19-22-31(49,50)34(55,56)37(61,62)40(67,68)43(73,74)46(79,80)81/h19-24H,4-18H2,1-3H3/b22-19+,23-20+,24-21+