5-tert-butyl-2-(2-methylpropyl)-2-(2-phenylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride

Systemtic Name: 5-tert-butyl-2-(2-methylpropyl)-2-(2-phenylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride Openeye Name: 5-tert-butyl-2-isobutyl-2-(2-phenylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: 5-tert-butyl-2-(2-methylpropyl)-2-(2-phenylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride IUPAC Name: 5-tert-butyl-2-(2-methylpropyl)-2-(2-phenylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride Traditional Name: 5-tert-butyl-2-isobutyl-2-(2-phenylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride Formula: C29H31Cl2Zr- MolecularWeight: 541.68644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(C=C2C=C(C=CC2=[C-]1)C(C)(C)C)C3=CC=CC=C3C4=CC=CC=C4.[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

CC(C)CC1(C=C2C=C(C=CC2=[C-]1)C(C)(C)C)C3=CC=CC=C3C4=CC=CC=C4.[Cl-].[Cl-].[Zr+2]

InChI

InChI=1S/C29H31.2ClH.Zr/c1-21(2)18-29(19-23-15-16-25(28(3,4)5)17-24(23)20-29)27-14-10-9-13-26(27)22-11-7-6-8-12-22;;;/h6-17,20-21H,18H2,1-5H3;2*1H;/q-1;;;+2/p-2