6-tert-butyl-1H-inden-1-ide; methylidenezirconium(2+); dichloride

Systemtic Name: 6-tert-butyl-1H-inden-1-ide; methylidenezirconium(2+); dichloride Openeye Name: 6-tert-butyl-1H-inden-1-ide; methylenezirconium(2+); dichloride CAS Name: 6-tert-butyl-1H-inden-1-ide; methylenezirconium(2+); dichloride IUPAC Name: 6-tert-butyl-1H-inden-1-ide; methylidenezirconium(2+); dichloride Traditional Name: 6-tert-butyl-1H-inden-1-ide; methylenezirconium(2+); dichloride Formula: C54H64Cl2Zr2-2 MolecularWeight: 966.43996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C[CH-]2)C=C1.CC(C)(C)C1=CC2=C(C=C[CH-]2)C=C1.CC(C)(C)C1=CC2=C(C=C[CH-]2)C=C1.CC(C)(C)C1=CC2=C(C=C[CH-]2)C=C1.C=[Zr+2].C=[Zr+2].[Cl-].[Cl-]

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C[CH-]2)C=C1.CC(C)(C)C1=CC2=C(C=C[CH-]2)C=C1.CC(C)(C)C1=CC2=C(C=C[CH-]2)C=C1.CC(C)(C)C1=CC2=C(C=C[CH-]2)C=C1.C=[Zr+2].C=[Zr+2].[Cl-].[Cl-]

InChI

InChI=1S/4C13H15.2CH2.2ClH.2Zr/c4*1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;;;;;;/h4*4-9H,1-3H3;2*1H2;2*1H;;/q4*-1;;;;;2*+2/p-2