carbanide; 1,3-dimethylcyclopenta-1,3-diene; (phenylmethylidene)zirconium; dichloride

Systemtic Name: carbanide; 1,3-dimethylcyclopenta-1,3-diene; (phenylmethylidene)zirconium; dichloride Openeye Name: benzylidenezirconium; carbanide; 1,3-dimethylcyclopenta-1,3-diene; dichloride CAS Name: carbanide; 1,3-dimethylcyclopenta-1,3-diene; (phenylmethylene)zirconium; dichloride IUPAC Name: benzylidenezirconium; carbanide; 1,3-dimethylcyclopenta-1,3-diene; dichloride Traditional Name: benzalzirconium; carbanide; 1,3-dimethylcyclopenta-1,3-diene; dichloride Formula: C22H27Cl2Zr-5 MolecularWeight: 453.57978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[CH3-].CC1=CC(=[C-]C1)C.CC1=CC(=[C-]C1)C.C1=CC=C(C=C1)C=[Zr].[Cl-].[Cl-]

Isomeric SMILES

[CH3-].CC1=CC(=[C-]C1)C.CC1=CC(=[C-]C1)C.C1=CC=C(C=C1)C=[Zr].[Cl-].[Cl-]

InChI

InChI=1S/2C7H9.C7H6.CH3.2ClH.Zr/c2*1-6-3-4-7(2)5-6;1-7-5-3-2-4-6-7;;;;/h2*5H,3H2,1-2H3;1-6H;1H3;2*1H;/q2*-1;;-1;;;/p-2