carbanide; cyclopenta-1,3-diene; 2-methylcyclopenta-1,3-diene; (phenylmethylidene)zirconium; dichloride

Systemtic Name: carbanide; cyclopenta-1,3-diene; 2-methylcyclopenta-1,3-diene; (phenylmethylidene)zirconium; dichloride Openeye Name: benzylidenezirconium; carbanide; cyclopenta-1,3-diene; 2-methylcyclopenta-1,3-diene; dichloride CAS Name: carbanide; cyclopenta-1,3-diene; 2-methylcyclopenta-1,3-diene; (phenylmethylene)zirconium; dichloride IUPAC Name: benzylidenezirconium; carbanide; cyclopenta-1,3-diene; 2-methylcyclopenta-1,3-diene; dichloride Traditional Name: benzalzirconium; carbanide; cyclopenta-1,3-diene; 2-methylcyclopenta-1,3-diene; dichloride Formula: C19H21Cl2Zr-5 MolecularWeight: 411.50004

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].CC1=[C-]CC=C1.C1C=CC=[C-]1.C1=CC=C(C=C1)C=[Zr].[Cl-].[Cl-]

Isomeric SMILES

[CH3-].CC1=[C-]CC=C1.C1C=CC=[C-]1.C1=CC=C(C=C1)C=[Zr].[Cl-].[Cl-]

InChI

InChI=1S/C7H6.C6H7.C5H5.CH3.2ClH.Zr/c1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;1-2-4-5-3-1;;;;/h1-6H;2,4H,3H2,1H3;1-3H,4H2;1H3;2*1H;/q;3*-1;;;/p-2