2-(2-ethylcyclopenta-1,3-dien-1-yl)-1,9-dihydrofluoren-1-ide; propan-2-ylidenezirconium; dichloride

Systemtic Name: 2-(2-ethylcyclopenta-1,3-dien-1-yl)-1,9-dihydrofluoren-1-ide; propan-2-ylidenezirconium; dichloride Openeye Name: 2-(2-ethylcyclopenta-1,3-dien-1-yl)-1,9-dihydrofluoren-1-ide; isopropylidenezirconium; dichloride CAS Name: 2-(2-ethyl-1-cyclopenta-1,3-dienyl)-1,9-dihydrofluoren-1-ide; propan-2-ylidenezirconium; dichloride IUPAC Name: 2-(2-ethylcyclopenta-1,3-dien-1-yl)-1,9-dihydrofluoren-1-ide; propan-2-ylidenezirconium; dichloride Traditional Name: 2-(2-ethylcyclopenta-1,3-dien-1-yl)-1,9-dihydrofluoren-1-ide; isopropylidenezirconium; dichloride Formula: C46H46Cl2Zr2-4 MolecularWeight: 852.21144

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(CC=C1)C2=[C-]C3=C(C=C2)C4=CC=CC=C4C3.CCC1=C(CC=C1)C2=[C-]C3=C(C=C2)C4=CC=CC=C4C3.CC(=[Zr])C.CC(=[Zr])C.[Cl-].[Cl-]

Isomeric SMILES

CCC1=C(CC=C1)C2=[C-]C3=C(C=C2)C4=CC=CC=C4C3.CCC1=C(CC=C1)C2=[C-]C3=C(C=C2)C4=CC=CC=C4C3.CC(=[Zr])C.CC(=[Zr])C.[Cl-].[Cl-]

InChI

InChI=1S/2C20H17.2C3H6.2ClH.2Zr/c2*1-2-14-7-5-9-18(14)16-10-11-20-17(13-16)12-15-6-3-4-8-19(15)20;2*1-3-2;;;;/h2*3-8,10-11H,2,9,12H2,1H3;2*1-2H3;2*1H;;/q2*-1;;;;;;/p-2