2-cyclohexyl-4-phenyl-1H-inden-1-ide; zirconium(2+); dichloride

Systemtic Name: 2-cyclohexyl-4-phenyl-1H-inden-1-ide; zirconium(2+); dichloride Openeye Name: 2-cyclohexyl-4-phenyl-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: 2-cyclohexyl-4-phenyl-1H-inden-1-ide; zirconium(2+); dichloride IUPAC Name: 2-cyclohexyl-4-phenyl-1H-inden-1-ide; zirconium(2+); dichloride Traditional Name: 2-cyclohexyl-4-phenyl-1H-inden-1-ide; zirconium(2+); dichloride Formula: C84H84Cl2Zr2-2 MolecularWeight: 1346.91976

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=CC=C4.C1CCC(CC1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=CC=C4.C1CCC(CC1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=CC=C4.C1CCC(CC1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=CC=C4.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

C1CCC(CC1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=CC=C4.C1CCC(CC1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=CC=C4.C1CCC(CC1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=CC=C4.C1CCC(CC1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=CC=C4.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/4C21H21.2ClH.2Zr/c4*1-3-8-16(9-4-1)19-14-18-12-7-13-20(21(18)15-19)17-10-5-2-6-11-17;;;;/h4*2,5-7,10-16H,1,3-4,8-9H2;2*1H;;/q4*-1;;;2*+2/p-2