2-butan-2-yl-5-tert-butyl-2-(2-ethylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride

Systemtic Name: 2-butan-2-yl-5-tert-butyl-2-(2-ethylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride Openeye Name: 5-tert-butyl-2-(2-ethylphenyl)-2-sec-butyl-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: 2-butan-2-yl-5-tert-butyl-2-(2-ethylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride IUPAC Name: 2-butan-2-yl-5-tert-butyl-2-(2-ethylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride Traditional Name: 5-tert-butyl-2-(2-ethylphenyl)-2-sec-butyl-1H-inden-1-ide; zirconium(2+); dichloride Formula: C25H31Cl2Zr- MolecularWeight: 493.64364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C2(C=C3C=C(C=CC3=[C-]2)C(C)(C)C)C(C)CC.[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

CCC1=CC=CC=C1C2(C=C3C=C(C=CC3=[C-]2)C(C)(C)C)C(C)CC.[Cl-].[Cl-].[Zr+2]

InChI

InChI=1S/C25H31.2ClH.Zr/c1-7-18(3)25(23-12-10-9-11-19(23)8-2)16-20-13-14-22(24(4,5)6)15-21(20)17-25;;;/h9-15,17-18H,7-8H2,1-6H3;2*1H;/q-1;;;+2/p-2