1,3-dimethyl-1,2-dihydroinden-2-ide; methylidenezirconium(2+); dichloride

Systemtic Name: 1,3-dimethyl-1,2-dihydroinden-2-ide; methylidenezirconium(2+); dichloride Openeye Name: 1,3-dimethyl-1,2-dihydroinden-2-ide; methylenezirconium(2+); dichloride CAS Name: 1,3-dimethyl-1,2-dihydroinden-2-ide; methylenezirconium(2+); dichloride IUPAC Name: 1,3-dimethyl-1,2-dihydroinden-2-ide; methylidenezirconium(2+); dichloride Traditional Name: 1,3-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[C-]=C(C2=CC=CC=C12)C.CC1[C-]=C(C2=CC=CC=C12)C.CC1[C-]=C(C2=CC=CC=C12)C.CC1[C-]=C(C2=CC=CC=C12)C.C=[Zr+2].C=[Zr+2].[Cl-].[Cl-]

Isomeric SMILES

CC1[C-]=C(C2=CC=CC=C12)C.CC1[C-]=C(C2=CC=CC=C12)C.CC1[C-]=C(C2=CC=CC=C12)C.CC1[C-]=C(C2=CC=CC=C12)C.C=[Zr+2].C=[Zr+2].[Cl-].[Cl-]

InChI

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