9-[2,4-bis(fluoranyl)benzene-6-id-1-yl]-1,2,3,4,5,6,7,8-octahydrocarbazole; cyclopenta-1,3-diene; titanium(4+)

Systemtic Name: 9-[2,4-bis(fluoranyl)benzene-6-id-1-yl]-1,2,3,4,5,6,7,8-octahydrocarbazole; cyclopenta-1,3-diene; titanium(4+) Openeye Name: cyclopenta-1,3-diene; 9-(2,4-difluorobenzene-6-id-1-yl)-1,2,3,4,5,6,7,8-octahydrocarbazole; titanium(4+) CAS Name: cyclopenta-1,3-diene; 9-(2,4-difluoro-1-benzene-6-idyl)-1,2,3,4,5,6,7,8-octahydrocarbazole; titanium(4+) IUPAC Name: cyclopenta-1,3-diene; 9-(2,4-difluorobenzene-6-id-1-yl)-1,2,3,4,5,6,7,8-octahydrocarbazole; titanium(4+) Traditional Name: cyclopenta-1,3-diene; 9-(2,4-difluorobenzene-6-id-1-yl)-1,2,3,4,5,6,7,8-octahydrocarbazole; titanium(4+) Formula: C46H46F4N2Ti MolecularWeight: 750.731453

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(N2C4=C(C=C(C=[C-]4)F)F)CCCC3.C1CCC2=C(C1)C3=C(N2C4=C(C=C(C=[C-]4)F)F)CCCC3.C1C=CC=[C-]1.C1C=CC=[C-]1.[Ti+4]

Isomeric SMILES

C1CCC2=C(C1)C3=C(N2C4=C(C=C(C=[C-]4)F)F)CCCC3.C1CCC2=C(C1)C3=C(N2C4=C(C=C(C=[C-]4)F)F)CCCC3.C1C=CC=[C-]1.C1C=CC=[C-]1.[Ti+4]

InChI

InChI=1S/2C18H18F2N.2C5H5.Ti/c2*19-12-9-10-18(15(20)11-12)21-16-7-3-1-5-13(16)14-6-2-4-8-17(14)21;2*1-2-4-5-3-1;/h2*9,11H,1-8H2;2*1-3H,4H2;/q4*-1;+4