9a-(2,3-diethylcyclopenta-1,3-dien-1-yl)-1,2,3,4,4a,4b,8a,9-octahydrofluoren-9-ide; (diphenylmethylidene)zirconium; dichloride

Systemtic Name: 9a-(2,3-diethylcyclopenta-1,3-dien-1-yl)-1,2,3,4,4a,4b,8a,9-octahydrofluoren-9-ide; (diphenylmethylidene)zirconium; dichloride Openeye Name: 9a-(2,3-diethylcyclopenta-1,3-dien-1-yl)-1,2,3,4,4a,4b,8a,9-octahydrofluoren-9-ide; benzhydrylidenezirconium; dichloride CAS Name: 9a-(2,3-diethyl-1-cyclopenta-1,3-dienyl)-1,2,3,4,4a,4b,8a,9-octahydrofluoren-9-ide; (diphenylmethylene)zirconium; dichloride IUPAC Name: 9a-(2,3-diethylcyclopenta-1,3-dien-1-yl)-1,2,3,4,4a,4b,8a,9-octahydrofluoren-9-ide; benzhydrylidenezirconium; dichloride Traditional Name: 9a-(2,3-diethylcyclopenta-1,3-dien-1-yl)-1,2,3,4,4a,4b,8a,9-octahydrofluoren-9-ide; benzhydrylidenezirconium; dichloride Formula: C35H39Cl2Zr-3 MolecularWeight: 621.81416

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CCC(=C1CC)C23CCCCC2C4C=CC=CC4[CH-]3.C1=CC=C(C=C1)C(=[Zr])C2=CC=CC=C2.[Cl-].[Cl-]

Isomeric SMILES

CCC1=CCC(=C1CC)C23CCCCC2C4C=CC=CC4[CH-]3.C1=CC=C(C=C1)C(=[Zr])C2=CC=CC=C2.[Cl-].[Cl-]

InChI

InChI=1S/C22H29.C13H10.2ClH.Zr/c1-3-16-12-13-21(18(16)4-2)22-14-8-7-11-20(22)19-10-6-5-9-17(19)15-22;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;;;/h5-6,9-10,12,15,17,19-20H,3-4,7-8,11,13-14H2,1-2H3;1-10H;2*1H;/q-1;;;;/p-2