2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-ide; titanium(2+); dichloride

Systemtic Name: 2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-ide; titanium(2+); dichloride Openeye Name: 2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-ide; titanium(2+); dichloride CAS Name: 2,7-ditert-butyl-1-(1-cyclopenta-1,3-dienyl)-9H-fluoren-9-ide; titanium(2+); dichloride IUPAC Name: 2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-ide; titanium(2+); dichloride Traditional Name: 2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-ide; titanium(2+); dichloride Formula: C52H58Cl2Ti2 MolecularWeight: 849.65692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)C3=C([CH-]2)C(=C(C=C3)C(C)(C)C)C4=CC=CC4.CC(C)(C)C1=CC2=C(C=C1)C3=C([CH-]2)C(=C(C=C3)C(C)(C)C)C4=CC=CC4.[Cl-].[Cl-].[Ti+2].[Ti+2]

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)C3=C([CH-]2)C(=C(C=C3)C(C)(C)C)C4=CC=CC4.CC(C)(C)C1=CC2=C(C=C1)C3=C([CH-]2)C(=C(C=C3)C(C)(C)C)C4=CC=CC4.[Cl-].[Cl-].[Ti+2].[Ti+2]

InChI

InChI=1S/2C26H29.2ClH.2Ti/c2*1-25(2,3)19-11-12-20-18(15-19)16-22-21(20)13-14-23(26(4,5)6)24(22)17-9-7-8-10-17;;;;/h2*7-9,11-16H,10H2,1-6H3;2*1H;;/q2*-1;;;2*+2/p-2