[2,4-bis(fluoranyl)benzene-6-id-1-yl] decanoate; cyclopenta-1,3-diene; titanium(4+)

Systemtic Name: [2,4-bis(fluoranyl)benzene-6-id-1-yl] decanoate; cyclopenta-1,3-diene; titanium(4+) Openeye Name: cyclopenta-1,3-diene; (2,4-difluorobenzene-6-id-1-yl) decanoate; titanium(4+) CAS Name: cyclopenta-1,3-diene; decanoic acid (2,4-difluoro-1-benzene-6-idyl) ester; titanium(4+) IUPAC Name: cyclopenta-1,3-diene; (2,4-difluorobenzene-6-id-1-yl) decanoate; titanium(4+) Traditional Name: capric acid (2,4-difluorobenzene-6-id-1-yl) ester; cyclopenta-1,3-diene; titanium(4+) Formula: C42H52F4O4Ti MolecularWeight: 744.720493

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OC1=C(C=C(C=[C-]1)F)F.CCCCCCCCCC(=O)OC1=C(C=C(C=[C-]1)F)F.C1C=CC=[C-]1.C1C=CC=[C-]1.[Ti+4]

Isomeric SMILES

CCCCCCCCCC(=O)OC1=C(C=C(C=[C-]1)F)F.CCCCCCCCCC(=O)OC1=C(C=C(C=[C-]1)F)F.C1C=CC=[C-]1.C1C=CC=[C-]1.[Ti+4]

InChI

InChI=1S/2C16H21F2O2.2C5H5.Ti/c2*1-2-3-4-5-6-7-8-9-16(19)20-15-11-10-13(17)12-14(15)18;2*1-2-4-5-3-1;/h2*10,12H,2-9H2,1H3;2*1-3H,4H2;/q4*-1;+4