4,7-dimethyl-1,2-dihydroinden-2-ide; methylidenezirconium(2+); dichloride

Systemtic Name: 4,7-dimethyl-1,2-dihydroinden-2-ide; methylidenezirconium(2+); dichloride Openeye Name: 4,7-dimethyl-1,2-dihydroinden-2-ide; methylenezirconium(2+); dichloride CAS Name: 4,7-dimethyl-1,2-dihydroinden-2-ide; methylenezirconium(2+); dichloride IUPAC Name: 4,7-dimethyl-1,2-dihydroinden-2-ide; methylidenezirconium(2+); dichloride Traditional Name: 4,7-dimethyl-1,2-dihydroinden-2-ide; methylenezirconium(2+); dichloride Formula: C46H48Cl2Zr2-2 MolecularWeight: 854.22732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C[C-]=CC2=C(C=C1)C.CC1=C2C[C-]=CC2=C(C=C1)C.CC1=C2C[C-]=CC2=C(C=C1)C.CC1=C2C[C-]=CC2=C(C=C1)C.C=[Zr+2].C=[Zr+2].[Cl-].[Cl-]

Isomeric SMILES

CC1=C2C[C-]=CC2=C(C=C1)C.CC1=C2C[C-]=CC2=C(C=C1)C.CC1=C2C[C-]=CC2=C(C=C1)C.CC1=C2C[C-]=CC2=C(C=C1)C.C=[Zr+2].C=[Zr+2].[Cl-].[Cl-]

InChI

InChI=1S/4C11H11.2CH2.2ClH.2Zr/c4*1-8-6-7-9(2)11-5-3-4-10(8)11;;;;;;/h4*4,6-7H,5H2,1-2H3;2*1H2;2*1H;;/q4*-1;;;;;2*+2/p-2