carbanide; 2,7-ditert-butyl-9H-fluoren-9-ide; (diphenylmethylidene)zirconium; 2-methylcyclopenta-1,3-diene

Systemtic Name: carbanide; 2,7-ditert-butyl-9H-fluoren-9-ide; (diphenylmethylidene)zirconium; 2-methylcyclopenta-1,3-diene Openeye Name: benzhydrylidenezirconium; carbanide; 2,7-ditert-butyl-9H-fluoren-9-ide; 2-methylcyclopenta-1,3-diene CAS Name: carbanide; 2,7-ditert-butyl-9H-fluoren-9-ide; (diphenylmethylene)zirconium; 2-methylcyclopenta-1,3-diene IUPAC Name: benzhydrylidenezirconium; carbanide; 2,7-ditert-butyl-9H-fluoren-9-ide; 2-methylcyclopenta-1,3-diene Traditional Name: benzhydrylidenezirconium; carbanide; 2,7-ditert-butyl-9H-fluoren-9-ide; 2-methylcyclopenta-1,3-diene Formula: C42H48Zr-4 MolecularWeight: 644.05452

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].CC1=CC[C-]=C1.CC(C)(C)C1=CC2=C(C=C1)C3=C([CH-]2)C=C(C=C3)C(C)(C)C.C1=CC=C(C=C1)C(=[Zr])C2=CC=CC=C2

Isomeric SMILES

[CH3-].[CH3-].CC1=CC[C-]=C1.CC(C)(C)C1=CC2=C(C=C1)C3=C([CH-]2)C=C(C=C3)C(C)(C)C.C1=CC=C(C=C1)C(=[Zr])C2=CC=CC=C2

InChI

InChI=1S/C21H25.C13H10.C6H7.2CH3.Zr/c1-20(2,3)16-7-9-18-14(12-16)11-15-13-17(21(4,5)6)8-10-19(15)18;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-6-4-2-3-5-6;;;/h7-13H,1-6H3;1-10H;4-5H,2H2,1H3;2*1H3;/q-1;;3*-1;