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

Systemtic Name: 2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-ide; propan-2-ylidenetitanium(1+); dichloride Openeye Name: 2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-ide; isopropylidenetitanium(1+); dichloride CAS Name: 2,7-ditert-butyl-1-(1-cyclopenta-1,3-dienyl)-9H-fluoren-9-ide; propan-2-ylidenetitanium(1+); dichloride IUPAC Name: 2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-ide; propan-2-ylidenetitanium(1+); dichloride Traditional Name: 2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-ide; isopropylidenetitanium(1+); dichloride Formula: C58H70Cl2Ti2-2 MolecularWeight: 933.8164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=[Ti+])C.CC(=[Ti+])C.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-]

Isomeric SMILES

CC(=[Ti+])C.CC(=[Ti+])C.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-]

InChI

InChI=1S/2C26H29.2C3H6.2ClH.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;2*1-3-2;;;;/h2*7-9,11-16H,10H2,1-6H3;2*1-2H3;2*1H;;/q2*-1;;;;;2*+1/p-2