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

Systemtic Name: [2,4-bis(fluoranyl)benzene-6-id-1-yl] 3-(4-methylcyclohexyl)propanoate; cyclopenta-1,3-diene; titanium(4+) Openeye Name: cyclopenta-1,3-diene; (2,4-difluorobenzene-6-id-1-yl) 3-(4-methylcyclohexyl)propanoate; titanium(4+) CAS Name: cyclopenta-1,3-diene; 3-(4-methylcyclohexyl)propanoic acid (2,4-difluoro-1-benzene-6-idyl) ester; titanium(4+) IUPAC Name: cyclopenta-1,3-diene; (2,4-difluorobenzene-6-id-1-yl) 3-(4-methylcyclohexyl)propanoate; titanium(4+) Traditional Name: cyclopenta-1,3-diene; 3-(4-methylcyclohexyl)propionic acid (2,4-difluorobenzene-6-id-1-yl) ester; titanium(4+) Formula: C42H48F4O4Ti MolecularWeight: 740.688733

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)CCC(=O)OC2=C(C=C(C=[C-]2)F)F.CC1CCC(CC1)CCC(=O)OC2=C(C=C(C=[C-]2)F)F.C1C=CC=[C-]1.C1C=CC=[C-]1.[Ti+4]

Isomeric SMILES

CC1CCC(CC1)CCC(=O)OC2=C(C=C(C=[C-]2)F)F.CC1CCC(CC1)CCC(=O)OC2=C(C=C(C=[C-]2)F)F.C1C=CC=[C-]1.C1C=CC=[C-]1.[Ti+4]

InChI

InChI=1S/2C16H19F2O2.2C5H5.Ti/c2*1-11-2-4-12(5-3-11)6-9-16(19)20-15-8-7-13(17)10-14(15)18;2*1-2-4-5-3-1;/h2*7,10-12H,2-6,9H2,1H3;2*1-3H,4H2;/q4*-1;+4