1-cyclopenta-1,3-dien-1-yl-2,7-dimethyl-9H-fluoren-9-ide; propan-2-ylidenezirconium; dichloride

Systemtic Name: 1-cyclopenta-1,3-dien-1-yl-2,7-dimethyl-9H-fluoren-9-ide; propan-2-ylidenezirconium; dichloride Openeye Name: 1-cyclopenta-1,3-dien-1-yl-2,7-dimethyl-9H-fluoren-9-ide; isopropylidenezirconium; dichloride CAS Name: 1-(1-cyclopenta-1,3-dienyl)-2,7-dimethyl-9H-fluoren-9-ide; propan-2-ylidenezirconium; dichloride IUPAC Name: 1-cyclopenta-1,3-dien-1-yl-2,7-dimethyl-9H-fluoren-9-ide; propan-2-ylidenezirconium; dichloride Traditional Name: 1-cyclopenta-1,3-dien-1-yl-2,7-dimethyl-9H-fluoren-9-ide; isopropylidenezirconium; dichloride Formula: C46H46Cl2Zr2-4 MolecularWeight: 852.21144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C3=C([CH-]2)C(=C(C=C3)C)C4=CC=CC4.CC1=CC2=C(C=C1)C3=C([CH-]2)C(=C(C=C3)C)C4=CC=CC4.CC(=[Zr])C.CC(=[Zr])C.[Cl-].[Cl-]

Isomeric SMILES

CC1=CC2=C(C=C1)C3=C([CH-]2)C(=C(C=C3)C)C4=CC=CC4.CC1=CC2=C(C=C1)C3=C([CH-]2)C(=C(C=C3)C)C4=CC=CC4.CC(=[Zr])C.CC(=[Zr])C.[Cl-].[Cl-]

InChI

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