(3E,5E)-icosa-1,3,5-triene; 1,2,4,5-tetrakis(fluoranyl)-6-methyl-cyclohexa-1,3-diene; titanium(2+)

Systemtic Name: (3E,5E)-icosa-1,3,5-triene; 1,2,4,5-tetrakis(fluoranyl)-6-methyl-cyclohexa-1,3-diene; titanium(2+) Openeye Name: (3E,5E)-icosa-1,3,5-triene; 1,2,4,5-tetrafluoro-6-methyl-cyclohexa-1,3-diene; titanium(2+) CAS Name: (3E,5E)-eicosa-1,3,5-triene; 1,2,4,5-tetrafluoro-6-methylcyclohexa-1,3-diene; titanium(2+) IUPAC Name: (3E,5E)-icosa-1,3,5-triene; 1,2,4,5-tetrafluoro-6-methylcyclohexa-1,3-diene; titanium(2+) Traditional Name: (3E,5E)-eicosa-1,3,5-triene; 1,2,4,5-tetrafluoro-6-methyl-cyclohexa-1,3-diene; titanium(2+) Formula: C27H40F4Ti MolecularWeight: 488.467113

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC=CC=CC=[CH-].CC1[C-](C(=CC(=C1F)F)F)F.[Ti+2]

Isomeric SMILES

CCCCCCCCCCCCCC/C=C/C=C/C=[CH-].CC1[C-](C(=CC(=C1F)F)F)F.[Ti+2]

InChI

InChI=1S/C20H35.C7H5F4.Ti/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2;1-3-6(10)4(8)2-5(9)7(3)11;/h1,3,5,7,9,11H,4,6,8,10,12-20H2,2H3;2-3H,1H3;/q2*-1;+2/b7-5+,11-9+;;