1-(3-tert-butylcyclopenta-1,3-dien-1-yl)inden-1-ide; propan-2-ylidenezirconium; dichloride

Systemtic Name: 1-(3-tert-butylcyclopenta-1,3-dien-1-yl)inden-1-ide; propan-2-ylidenezirconium; dichloride Openeye Name: 1-(3-tert-butylcyclopenta-1,3-dien-1-yl)inden-1-ide; isopropylidenezirconium; dichloride CAS Name: 1-(3-tert-butyl-1-cyclopenta-1,3-dienyl)inden-1-ide; propan-2-ylidenezirconium; dichloride IUPAC Name: 1-(3-tert-butylcyclopenta-1,3-dien-1-yl)inden-1-ide; propan-2-ylidenezirconium; dichloride Traditional Name: 1-(3-tert-butylcyclopenta-1,3-dien-1-yl)inden-1-ide; isopropylidenezirconium; dichloride Formula: C42H50Cl2Zr2-4 MolecularWeight: 808.2004

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[Zr])C.CC(=[Zr])C.CC(C)(C)C1=CCC(=C1)[C-]2C=CC3=CC=CC=C23.CC(C)(C)C1=CCC(=C1)[C-]2C=CC3=CC=CC=C23.[Cl-].[Cl-]

Isomeric SMILES

CC(=[Zr])C.CC(=[Zr])C.CC(C)(C)C1=CCC(=C1)[C-]2C=CC3=CC=CC=C23.CC(C)(C)C1=CCC(=C1)[C-]2C=CC3=CC=CC=C23.[Cl-].[Cl-]

InChI

InChI=1S/2C18H19.2C3H6.2ClH.2Zr/c2*1-18(2,3)15-10-8-14(12-15)17-11-9-13-6-4-5-7-16(13)17;2*1-3-2;;;;/h2*4-7,9-12H,8H2,1-3H3;2*1-2H3;2*1H;;/q2*-1;;;;;;/p-2