cyclohexylidenezirconium(2+); 3-(dicyclopentylmethyl)-1H-inden-1-ide; dichloride

Systemtic Name: cyclohexylidenezirconium(2+); 3-(dicyclopentylmethyl)-1H-inden-1-ide; dichloride Openeye Name: cyclohexylidenezirconium(2+); 3-(dicyclopentylmethyl)-1H-inden-1-ide; dichloride CAS Name: cyclohexylidenezirconium(2+); 3-(dicyclopentylmethyl)-1H-inden-1-ide; dichloride IUPAC Name: cyclohexylidenezirconium(2+); 3-(dicyclopentylmethyl)-1H-inden-1-ide; dichloride Traditional Name: cyclohexylidenezirconium(2+); 3-(dicyclopentylmethyl)-1H-inden-1-ide; dichloride Formula: C92H120Cl2Zr2-2 MolecularWeight: 1479.2912

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[Zr+2])CC1.C1CCC(=[Zr+2])CC1.C1CCC(C1)C(C2CCCC2)C3=C[CH-]C4=CC=CC=C43.C1CCC(C1)C(C2CCCC2)C3=C[CH-]C4=CC=CC=C43.C1CCC(C1)C(C2CCCC2)C3=C[CH-]C4=CC=CC=C43.C1CCC(C1)C(C2CCCC2)C3=C[CH-]C4=CC=CC=C43.[Cl-].[Cl-]

Isomeric SMILES

C1CCC(=[Zr+2])CC1.C1CCC(=[Zr+2])CC1.C1CCC(C1)C(C2CCCC2)C3=C[CH-]C4=CC=CC=C43.C1CCC(C1)C(C2CCCC2)C3=C[CH-]C4=CC=CC=C43.C1CCC(C1)C(C2CCCC2)C3=C[CH-]C4=CC=CC=C43.C1CCC(C1)C(C2CCCC2)C3=C[CH-]C4=CC=CC=C43.[Cl-].[Cl-]

InChI

InChI=1S/4C20H25.2C6H10.2ClH.2Zr/c4*1-2-9-16(8-1)20(17-10-3-4-11-17)19-14-13-15-7-5-6-12-18(15)19;2*1-2-4-6-5-3-1;;;;/h4*5-7,12-14,16-17,20H,1-4,8-11H2;2*1-5H2;2*1H;;/q4*-1;;;;;2*+2/p-2