1-(3-methyl-5-phenyl-cyclopenta-1,3-dien-1-yl)-9H-fluoren-9-ide; propan-2-ylidenezirconium; dichloride

Systemtic Name: 1-(3-methyl-5-phenyl-cyclopenta-1,3-dien-1-yl)-9H-fluoren-9-ide; propan-2-ylidenezirconium; dichloride Openeye Name: isopropylidenezirconium; 1-(3-methyl-5-phenyl-cyclopenta-1,3-dien-1-yl)-9H-fluoren-9-ide; dichloride CAS Name: 1-(3-methyl-5-phenyl-1-cyclopenta-1,3-dienyl)-9H-fluoren-9-ide; propan-2-ylidenezirconium; dichloride IUPAC Name: 1-(3-methyl-5-phenylcyclopenta-1,3-dien-1-yl)-9H-fluoren-9-ide; propan-2-ylidenezirconium; dichloride Traditional Name: isopropylidenezirconium; 1-(3-methyl-5-phenyl-cyclopenta-1,3-dien-1-yl)-9H-fluoren-9-ide; dichloride Formula: C56H50Cl2Zr2-4 MolecularWeight: 976.3502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(=C1)C2=CC=CC3=C2[CH-]C4=CC=CC=C43)C5=CC=CC=C5.CC1=CC(C(=C1)C2=CC=CC3=C2[CH-]C4=CC=CC=C43)C5=CC=CC=C5.CC(=[Zr])C.CC(=[Zr])C.[Cl-].[Cl-]

Isomeric SMILES

CC1=CC(C(=C1)C2=CC=CC3=C2[CH-]C4=CC=CC=C43)C5=CC=CC=C5.CC1=CC(C(=C1)C2=CC=CC3=C2[CH-]C4=CC=CC=C43)C5=CC=CC=C5.CC(=[Zr])C.CC(=[Zr])C.[Cl-].[Cl-]

InChI

InChI=1S/2C25H19.2C3H6.2ClH.2Zr/c2*1-17-14-23(18-8-3-2-4-9-18)24(15-17)22-13-7-12-21-20-11-6-5-10-19(20)16-25(21)22;2*1-3-2;;;;/h2*2-16,23H,1H3;2*1-2H3;2*1H;;/q2*-1;;;;;;/p-2