2-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-5-ethyl-1H-inden-1-ide; zirconium(2+); dichloride

Systemtic Name: 2-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-5-ethyl-1H-inden-1-ide; zirconium(2+); dichloride Openeye Name: 2-tert-butyl-2-(3,5-diisopropylphenyl)-5-ethyl-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: 2-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-5-ethyl-1H-inden-1-ide; zirconium(2+); dichloride IUPAC Name: 2-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-5-ethyl-1H-inden-1-ide; zirconium(2+); dichloride Traditional Name: 2-tert-butyl-2-(3,5-diisopropylphenyl)-5-ethyl-1H-inden-1-ide; zirconium(2+); dichloride Formula: C27H35Cl2Zr- MolecularWeight: 521.6968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=CC([C-]=C2C=C1)(C3=CC(=CC(=C3)C(C)C)C(C)C)C(C)(C)C.[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

CCC1=CC2=CC([C-]=C2C=C1)(C3=CC(=CC(=C3)C(C)C)C(C)C)C(C)(C)C.[Cl-].[Cl-].[Zr+2]

InChI

InChI=1S/C27H35.2ClH.Zr/c1-9-20-10-11-21-16-27(26(6,7)8,17-24(21)12-20)25-14-22(18(2)3)13-23(15-25)19(4)5;;;/h10-15,17-19H,9H2,1-8H3;2*1H;/q-1;;;+2/p-2