cyclohexylidenezirconium; 2,7-ditert-butyl-2-cyclopenta-1,3-dien-1-yl-1H-fluoren-1-ide; dichloride

Systemtic Name: cyclohexylidenezirconium; 2,7-ditert-butyl-2-cyclopenta-1,3-dien-1-yl-1H-fluoren-1-ide; dichloride Openeye Name: cyclohexylidenezirconium; 2,7-ditert-butyl-2-cyclopenta-1,3-dien-1-yl-1H-fluoren-1-ide; dichloride CAS Name: cyclohexylidenezirconium; 2,7-ditert-butyl-2-(1-cyclopenta-1,3-dienyl)-1H-fluoren-1-ide; dichloride IUPAC Name: cyclohexylidenezirconium; 2,7-ditert-butyl-2-cyclopenta-1,3-dien-1-yl-1H-fluoren-1-ide; dichloride Traditional Name: cyclohexylidenezirconium; 2,7-ditert-butyl-2-cyclopenta-1,3-dien-1-yl-1H-fluoren-1-ide; dichloride Formula: C64H78Cl2Zr2-4 MolecularWeight: 1100.65812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=CC3=[C-]C(C=CC3=C2C=C1)(C4=CC=CC4)C(C)(C)C.CC(C)(C)C1=CC2=CC3=[C-]C(C=CC3=C2C=C1)(C4=CC=CC4)C(C)(C)C.C1CCC(=[Zr])CC1.C1CCC(=[Zr])CC1.[Cl-].[Cl-]

Isomeric SMILES

CC(C)(C)C1=CC2=CC3=[C-]C(C=CC3=C2C=C1)(C4=CC=CC4)C(C)(C)C.CC(C)(C)C1=CC2=CC3=[C-]C(C=CC3=C2C=C1)(C4=CC=CC4)C(C)(C)C.C1CCC(=[Zr])CC1.C1CCC(=[Zr])CC1.[Cl-].[Cl-]

InChI

InChI=1S/2C26H29.2C6H10.2ClH.2Zr/c2*1-24(2,3)21-11-12-22-18(16-21)15-19-17-26(25(4,5)6,14-13-23(19)22)20-9-7-8-10-20;2*1-2-4-6-5-3-1;;;;/h2*7-9,11-16H,10H2,1-6H3;2*1-5H2;2*1H;;/q2*-1;;;;;;/p-2