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

Systemtic Name: 9a-(2-ethylcyclopenta-1,3-dien-1-yl)-1,2,3,4,4a,4b,8a,9-octahydrofluoren-9-ide; (diphenylmethylidene)zirconium; dichloride Openeye Name: 9a-(2-ethylcyclopenta-1,3-dien-1-yl)-1,2,3,4,4a,4b,8a,9-octahydrofluoren-9-ide; benzhydrylidenezirconium; dichloride CAS Name: 9a-(2-ethyl-1-cyclopenta-1,3-dienyl)-1,2,3,4,4a,4b,8a,9-octahydrofluoren-9-ide; (diphenylmethylene)zirconium; dichloride IUPAC Name: 9a-(2-ethylcyclopenta-1,3-dien-1-yl)-1,2,3,4,4a,4b,8a,9-octahydrofluoren-9-ide; benzhydrylidenezirconium; dichloride Traditional Name: 9a-(2-ethylcyclopenta-1,3-dien-1-yl)-1,2,3,4,4a,4b,8a,9-octahydrofluoren-9-ide; benzhydrylidenezirconium; dichloride Formula: C33H35Cl2Zr-3 MolecularWeight: 593.761

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25.C13H10.2ClH.Zr/c1-2-15-9-7-12-18(15)20-13-6-5-11-19(20)17-10-4-3-8-16(17)14-20;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;;;/h3-4,7-10,14,16-17,19H,2,5-6,11-13H2,1H3;1-10H;2*1H;/q-1;;;;/p-2