1-methyl-1,2,4,5,6,7-hexahydroinden-2-ide; methylidenezirconium(2+); dichloride

Systemtic Name: 1-methyl-1,2,4,5,6,7-hexahydroinden-2-ide; methylidenezirconium(2+); dichloride Openeye Name: methylenezirconium(2+); 1-methyl-1,2,4,5,6,7-hexahydroinden-2-ide; dichloride CAS Name: methylenezirconium(2+); 1-methyl-1,2,4,5,6,7-hexahydroinden-2-ide; dichloride IUPAC Name: 1-methyl-1,2,4,5,6,7-hexahydroinden-2-ide; methylidenezirconium(2+); dichloride Traditional Name: methylenezirconium(2+); 1-methyl-1,2,4,5,6,7-hexahydroinden-2-ide; dichloride Formula: C42H56Cl2Zr2-2 MolecularWeight: 814.24804

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Descriptors Computed from Structure

Canonical SMILES:

CC1[C-]=CC2=C1CCCC2.CC1[C-]=CC2=C1CCCC2.CC1[C-]=CC2=C1CCCC2.CC1[C-]=CC2=C1CCCC2.C=[Zr+2].C=[Zr+2].[Cl-].[Cl-]

Isomeric SMILES

CC1[C-]=CC2=C1CCCC2.CC1[C-]=CC2=C1CCCC2.CC1[C-]=CC2=C1CCCC2.CC1[C-]=CC2=C1CCCC2.C=[Zr+2].C=[Zr+2].[Cl-].[Cl-]

InChI

InChI=1S/4C10H13.2CH2.2ClH.2Zr/c4*1-8-6-7-9-4-2-3-5-10(8)9;;;;;;/h4*7-8H,2-5H2,1H3;2*1H2;2*1H;;/q4*-1;;;;;2*+2/p-2