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

Systemtic Name: 3-butan-2-yl-1H-inden-1-ide; cyclohexylidenezirconium(2+); dichloride Openeye Name: cyclohexylidenezirconium(2+); 3-sec-butyl-1H-inden-1-ide; dichloride CAS Name: 3-butan-2-yl-1H-inden-1-ide; cyclohexylidenezirconium(2+); dichloride IUPAC Name: 3-butan-2-yl-1H-inden-1-ide; cyclohexylidenezirconium(2+); dichloride Traditional Name: cyclohexylidenezirconium(2+); 3-sec-butyl-1H-inden-1-ide; dichloride Formula: C64H80Cl2Zr2-2 MolecularWeight: 1102.674

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C[CH-]C2=CC=CC=C21.CCC(C)C1=C[CH-]C2=CC=CC=C21.CCC(C)C1=C[CH-]C2=CC=CC=C21.CCC(C)C1=C[CH-]C2=CC=CC=C21.C1CCC(=[Zr+2])CC1.C1CCC(=[Zr+2])CC1.[Cl-].[Cl-]

Isomeric SMILES

CCC(C)C1=C[CH-]C2=CC=CC=C21.CCC(C)C1=C[CH-]C2=CC=CC=C21.CCC(C)C1=C[CH-]C2=CC=CC=C21.CCC(C)C1=C[CH-]C2=CC=CC=C21.C1CCC(=[Zr+2])CC1.C1CCC(=[Zr+2])CC1.[Cl-].[Cl-]

InChI

InChI=1S/4C13H15.2C6H10.2ClH.2Zr/c4*1-3-10(2)12-9-8-11-6-4-5-7-13(11)12;2*1-2-4-6-5-3-1;;;;/h4*4-10H,3H2,1-2H3;2*1-5H2;2*1H;;/q4*-1;;;;;2*+2/p-2