2-(3,5-ditert-butylphenyl)-5,5,8,8-tetramethyl-6,7-dihydro-1H-cyclopenta[b]naphthalen-1-ide; zirconium(4+); dichloride

Systemtic Name: 2-(3,5-ditert-butylphenyl)-5,5,8,8-tetramethyl-6,7-dihydro-1H-cyclopenta[b]naphthalen-1-ide; zirconium(4+); dichloride Openeye Name: 2-(3,5-ditert-butylphenyl)-5,5,8,8-tetramethyl-6,7-dihydro-1H-cyclopenta[b]naphthalen-1-ide; zirconium(4+); dichloride CAS Name: 2-(3,5-ditert-butylphenyl)-5,5,8,8-tetramethyl-6,7-dihydro-1H-cyclopenta[b]naphthalen-1-ide; zirconium(4+); dichloride IUPAC Name: 2-(3,5-ditert-butylphenyl)-5,5,8,8-tetramethyl-6,7-dihydro-1H-cyclopenta[b]naphthalen-1-ide; zirconium(4+); dichloride Traditional Name: 2-(3,5-ditert-butylphenyl)-5,5,8,8-tetramethyl-6,7-dihydro-1H-benz[f]inden-1-ide; zirconium(4+); dichloride Formula: C62H82Cl2Zr MolecularWeight: 989.44448

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2=C1C=C3[CH-]C(=CC3=C2)C4=CC(=CC(=C4)C(C)(C)C)C(C)(C)C)(C)C)C.CC1(CCC(C2=C1C=C3[CH-]C(=CC3=C2)C4=CC(=CC(=C4)C(C)(C)C)C(C)(C)C)(C)C)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC1(CCC(C2=C1C=C3[CH-]C(=CC3=C2)C4=CC(=CC(=C4)C(C)(C)C)C(C)(C)C)(C)C)C.CC1(CCC(C2=C1C=C3[CH-]C(=CC3=C2)C4=CC(=CC(=C4)C(C)(C)C)C(C)(C)C)(C)C)C.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C31H41.2ClH.Zr/c2*1-28(2,3)24-15-23(16-25(19-24)29(4,5)6)20-13-21-17-26-27(18-22(21)14-20)31(9,10)12-11-30(26,7)8;;;/h2*13-19H,11-12H2,1-10H3;2*1H;/q2*-1;;;+4/p-2