1-butyl-3-[2-(3-butyl-1H-inden-1-id-2-yl)propan-2-yl]inden-3-ide; titanium(4+); dichloride

Systemtic Name: 1-butyl-3-[2-(3-butyl-1H-inden-1-id-2-yl)propan-2-yl]inden-3-ide; titanium(4+); dichloride Openeye Name: 1-butyl-3-[1-(3-butyl-1H-inden-1-id-2-yl)-1-methyl-ethyl]inden-3-ide; titanium(4+); dichloride CAS Name: 1-butyl-3-[2-(3-butyl-1H-inden-1-id-2-yl)propan-2-yl]inden-3-ide; titanium(4+); dichloride IUPAC Name: 1-butyl-3-[2-(3-butyl-1H-inden-1-id-2-yl)propan-2-yl]inden-3-ide; titanium(4+); dichloride Traditional Name: 1-butyl-3-[1-(3-butyl-1H-inden-1-id-2-yl)-1-methyl-ethyl]inden-3-ide; titanium(4+); dichloride Formula: C29H34Cl2Ti MolecularWeight: 501.35326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C[C-](C2=CC=CC=C21)C(C)(C)C3=C(C4=CC=CC=C4[CH-]3)CCCC.[Cl-].[Cl-].[Ti+4]

Isomeric SMILES

CCCCC1=C[C-](C2=CC=CC=C21)C(C)(C)C3=C(C4=CC=CC=C4[CH-]3)CCCC.[Cl-].[Cl-].[Ti+4]

InChI

InChI=1S/C29H34.2ClH.Ti/c1-5-7-13-21-19-28(26-18-12-11-17-23(21)26)29(3,4)27-20-22-14-9-10-16-24(22)25(27)15-8-6-2;;;/h9-12,14,16-20H,5-8,13,15H2,1-4H3;2*1H;/q-2;;;+4/p-2