2-butyl-5-methyl-4-(2-propan-2-ylphenyl)-1H-inden-1-ide; zirconium(3+); dichloride

Systemtic Name: 2-butyl-5-methyl-4-(2-propan-2-ylphenyl)-1H-inden-1-ide; zirconium(3+); dichloride Openeye Name: 2-butyl-4-(2-isopropylphenyl)-5-methyl-1H-inden-1-ide; zirconium(3+); dichloride CAS Name: 2-butyl-5-methyl-4-(2-propan-2-ylphenyl)-1H-inden-1-ide; zirconium(3+); dichloride IUPAC Name: 2-butyl-5-methyl-4-(2-propan-2-ylphenyl)-1H-inden-1-ide; zirconium(3+); dichloride Traditional Name: 2-butyl-5-methyl-4-o-cumenyl-1H-inden-1-ide; zirconium(3+); dichloride Formula: C23H27Cl2Zr MolecularWeight: 465.59048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C([CH-]1)C=CC(=C2C3=CC=CC=C3C(C)C)C.[Cl-].[Cl-].[Zr+3]

Isomeric SMILES

CCCCC1=CC2=C([CH-]1)C=CC(=C2C3=CC=CC=C3C(C)C)C.[Cl-].[Cl-].[Zr+3]

InChI

InChI=1S/C23H27.2ClH.Zr/c1-5-6-9-18-14-19-13-12-17(4)23(22(19)15-18)21-11-8-7-10-20(21)16(2)3;;;/h7-8,10-16H,5-6,9H2,1-4H3;2*1H;/q-1;;;+3/p-2