cyclohexylidenezirconium(2+); 2,4-dimethyl-4,5,6,7-tetrahydro-1H-inden-1-ide; dichloride

Systemtic Name: cyclohexylidenezirconium(2+); 2,4-dimethyl-4,5,6,7-tetrahydro-1H-inden-1-ide; dichloride Openeye Name: cyclohexylidenezirconium(2+); 2,4-dimethyl-4,5,6,7-tetrahydro-1H-inden-1-ide; dichloride CAS Name: cyclohexylidenezirconium(2+); 2,4-dimethyl-4,5,6,7-tetrahydro-1H-inden-1-ide; dichloride IUPAC Name: cyclohexylidenezirconium(2+); 2,4-dimethyl-4,5,6,7-tetrahydro-1H-inden-1-ide; dichloride Traditional Name: cyclohexylidenezirconium(2+); 2,4-dimethyl-4,5,6,7-tetrahydro-1H-inden-1-ide; dichloride Formula: C56H80Cl2Zr2-2 MolecularWeight: 1006.5884

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC2=C1C=C([CH-]2)C.CC1CCCC2=C1C=C([CH-]2)C.CC1CCCC2=C1C=C([CH-]2)C.CC1CCCC2=C1C=C([CH-]2)C.C1CCC(=[Zr+2])CC1.C1CCC(=[Zr+2])CC1.[Cl-].[Cl-]

Isomeric SMILES

CC1CCCC2=C1C=C([CH-]2)C.CC1CCCC2=C1C=C([CH-]2)C.CC1CCCC2=C1C=C([CH-]2)C.CC1CCCC2=C1C=C([CH-]2)C.C1CCC(=[Zr+2])CC1.C1CCC(=[Zr+2])CC1.[Cl-].[Cl-]

InChI

InChI=1S/4C11H15.2C6H10.2ClH.2Zr/c4*1-8-6-10-5-3-4-9(2)11(10)7-8;2*1-2-4-6-5-3-1;;;;/h4*6-7,9H,3-5H2,1-2H3;2*1-5H2;2*1H;;/q4*-1;;;;;2*+2/p-2