carbanide; 2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide; (phenylmethylidene)zirconium(2+); dichloride

Systemtic Name: carbanide; 2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide; (phenylmethylidene)zirconium(2+); dichloride Openeye Name: benzylidenezirconium(2+); carbanide; 2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide; dichloride CAS Name: carbanide; 2-(1-cyclopenta-1,3-dienyl)-1,9-dihydrofluoren-1-ide; (phenylmethylene)zirconium(2+); dichloride IUPAC Name: benzylidenezirconium(2+); carbanide; 2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide; dichloride Traditional Name: benzalzirconium(2+); carbanide; 2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide; dichloride Formula: C52H44Cl2Zr2-2 MolecularWeight: 922.25976

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].C1C=CC=C1C2=[C-]C3=C(C=C2)C4=CC=CC=C4C3.C1C=CC=C1C2=[C-]C3=C(C=C2)C4=CC=CC=C4C3.C1=CC=C(C=C1)C=[Zr+2].C1=CC=C(C=C1)C=[Zr+2].[Cl-].[Cl-]

Isomeric SMILES

[CH3-].[CH3-].C1C=CC=C1C2=[C-]C3=C(C=C2)C4=CC=CC=C4C3.C1C=CC=C1C2=[C-]C3=C(C=C2)C4=CC=CC=C4C3.C1=CC=C(C=C1)C=[Zr+2].C1=CC=C(C=C1)C=[Zr+2].[Cl-].[Cl-]

InChI

InChI=1S/2C18H13.2C7H6.2CH3.2ClH.2Zr/c2*1-2-6-13(5-1)14-9-10-18-16(11-14)12-15-7-3-4-8-17(15)18;2*1-7-5-3-2-4-6-7;;;;;;/h2*1-5,7-10H,6,12H2;2*1-6H;2*1H3;2*1H;;/q2*-1;;;2*-1;;;2*+2/p-2