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

Systemtic Name: 1-(5-methyl-3-phenyl-cyclopenta-1,3-dien-1-yl)-9H-fluoren-9-ide; zirconium(2+); dichloride Openeye Name: 1-(5-methyl-3-phenyl-cyclopenta-1,3-dien-1-yl)-9H-fluoren-9-ide; zirconium(2+); dichloride CAS Name: 1-(5-methyl-3-phenyl-1-cyclopenta-1,3-dienyl)-9H-fluoren-9-ide; zirconium(2+); dichloride IUPAC Name: 1-(5-methyl-3-phenylcyclopenta-1,3-dien-1-yl)-9H-fluoren-9-ide; zirconium(2+); dichloride Traditional Name: 1-(5-methyl-3-phenyl-cyclopenta-1,3-dien-1-yl)-9H-fluoren-9-ide; zirconium(2+); dichloride Formula: C50H38Cl2Zr2 MolecularWeight: 892.19072

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(C=C1C2=CC=CC3=C2[CH-]C4=CC=CC=C43)C5=CC=CC=C5.CC1C=C(C=C1C2=CC=CC3=C2[CH-]C4=CC=CC=C43)C5=CC=CC=C5.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CC1C=C(C=C1C2=CC=CC3=C2[CH-]C4=CC=CC=C43)C5=CC=CC=C5.CC1C=C(C=C1C2=CC=CC3=C2[CH-]C4=CC=CC=C43)C5=CC=CC=C5.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

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