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

Systemtic Name: cyclohexylidenezirconium(2+); 3-(dicyclohexylmethyl)-1H-inden-1-ide; dichloride Openeye Name: cyclohexylidenezirconium(2+); 3-(dicyclohexylmethyl)-1H-inden-1-ide; dichloride CAS Name: cyclohexylidenezirconium(2+); 3-(dicyclohexylmethyl)-1H-inden-1-ide; dichloride IUPAC Name: cyclohexylidenezirconium(2+); 3-(dicyclohexylmethyl)-1H-inden-1-ide; dichloride Traditional Name: cyclohexylidenezirconium(2+); 3-(dicyclohexylmethyl)-1H-inden-1-ide; dichloride Formula: C100H136Cl2Zr2-2 MolecularWeight: 1591.50384

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2CCCCC2)C3=C[CH-]C4=CC=CC=C43.C1CCC(CC1)C(C2CCCCC2)C3=C[CH-]C4=CC=CC=C43.C1CCC(CC1)C(C2CCCCC2)C3=C[CH-]C4=CC=CC=C43.C1CCC(CC1)C(C2CCCCC2)C3=C[CH-]C4=CC=CC=C43.C1CCC(=[Zr+2])CC1.C1CCC(=[Zr+2])CC1.[Cl-].[Cl-]

Isomeric SMILES

C1CCC(CC1)C(C2CCCCC2)C3=C[CH-]C4=CC=CC=C43.C1CCC(CC1)C(C2CCCCC2)C3=C[CH-]C4=CC=CC=C43.C1CCC(CC1)C(C2CCCCC2)C3=C[CH-]C4=CC=CC=C43.C1CCC(CC1)C(C2CCCCC2)C3=C[CH-]C4=CC=CC=C43.C1CCC(=[Zr+2])CC1.C1CCC(=[Zr+2])CC1.[Cl-].[Cl-]

InChI

InChI=1S/4C22H29.2C6H10.2ClH.2Zr/c4*1-3-10-18(11-4-1)22(19-12-5-2-6-13-19)21-16-15-17-9-7-8-14-20(17)21;2*1-2-4-6-5-3-1;;;;/h4*7-9,14-16,18-19,22H,1-6,10-13H2;2*1-5H2;2*1H;;/q4*-1;;;;;2*+2/p-2