bis(4-tert-butylphenyl)methylidenezirconium(2+); 1,9-dihydrofluoren-1-ide; 2-(3-methylcyclopenta-1,4-dien-1-yl)adamantane; dichloride

Systemtic Name: bis(4-tert-butylphenyl)methylidenezirconium(2+); 1,9-dihydrofluoren-1-ide; 2-(3-methylcyclopenta-1,4-dien-1-yl)adamantane; dichloride Openeye Name: bis(4-tert-butylphenyl)methylenezirconium(2+); 1,9-dihydrofluoren-1-ide; 2-(3-methylcyclopenta-1,4-dien-1-yl)adamantane; dichloride CAS Name: bis(4-tert-butylphenyl)methylidenezirconium(2+); 1,9-dihydrofluoren-1-ide; 2-(3-methyl-1-cyclopenta-1,4-dienyl)adamantane; dichloride IUPAC Name: bis(4-tert-butylphenyl)methylidenezirconium(2+); 1,9-dihydrofluoren-1-ide; 2-(3-methylcyclopenta-1,4-dien-1-yl)adamantane; dichloride Traditional Name: bis(4-tert-butylphenyl)methylenezirconium(2+); 1,9-dihydrofluoren-1-ide; 2-(3-methylcyclopenta-1,4-dien-1-yl)adamantane; dichloride Formula: C50H56Cl2Zr-2 MolecularWeight: 819.10964

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(C=[C-]1)C2C3CC4CC(C3)CC2C4.CC(C)(C)C1=CC=C(C=C1)C(=[Zr+2])C2=CC=C(C=C2)C(C)(C)C.C1C2=CC=CC=C2C3=C1[C-]=CC=C3.[Cl-].[Cl-]

Isomeric SMILES

CC1C=C(C=[C-]1)C2C3CC4CC(C3)CC2C4.CC(C)(C)C1=CC=C(C=C1)C(=[Zr+2])C2=CC=C(C=C2)C(C)(C)C.C1C2=CC=CC=C2C3=C1[C-]=CC=C3.[Cl-].[Cl-]

InChI

InChI=1S/C21H26.C16H21.C13H9.2ClH.Zr/c1-20(2,3)18-11-7-16(8-12-18)15-17-9-13-19(14-10-17)21(4,5)6;1-10-2-3-13(4-10)16-14-6-11-5-12(8-14)9-15(16)7-11;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;;;/h7-14H,1-6H3;3-4,10-12,14-16H,5-9H2,1H3;1-5,7-8H,9H2;2*1H;/q;2*-1;;;+2/p-2