3-cyclohexyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride

Systemtic Name: 3-cyclohexyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride Openeye Name: 3-cyclohexyl-1H-inden-1-ide; isopropylidenezirconium(2+); dichloride CAS Name: 3-cyclohexyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: 3-cyclohexyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride Traditional Name: 3-cyclohexyl-1H-inden-1-ide; isopropylidenezirconium(2+); dichloride Formula: C66H80Cl2Zr2-2 MolecularWeight: 1126.6954

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[Zr+2])C.CC(=[Zr+2])C.C1CCC(CC1)C2=C[CH-]C3=CC=CC=C32.C1CCC(CC1)C2=C[CH-]C3=CC=CC=C32.C1CCC(CC1)C2=C[CH-]C3=CC=CC=C32.C1CCC(CC1)C2=C[CH-]C3=CC=CC=C32.[Cl-].[Cl-]

Isomeric SMILES

CC(=[Zr+2])C.CC(=[Zr+2])C.C1CCC(CC1)C2=C[CH-]C3=CC=CC=C32.C1CCC(CC1)C2=C[CH-]C3=CC=CC=C32.C1CCC(CC1)C2=C[CH-]C3=CC=CC=C32.C1CCC(CC1)C2=C[CH-]C3=CC=CC=C32.[Cl-].[Cl-]

InChI

InChI=1S/4C15H17.2C3H6.2ClH.2Zr/c4*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;2*1-3-2;;;;/h4*4-5,8-12H,1-3,6-7H2;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2