2,4-ditert-butylphenolate; 2-methyl-3-[2-[2-methyl-5,7-di(propan-2-yl)-3H-inden-3-id-1-yl]ethyl]-4,6-di(propan-2-yl)-1H-inden-1-ide; zirconium(4+); chloride

Systemtic Name: 2,4-ditert-butylphenolate; 2-methyl-3-[2-[2-methyl-5,7-di(propan-2-yl)-3H-inden-3-id-1-yl]ethyl]-4,6-di(propan-2-yl)-1H-inden-1-ide; zirconium(4+); chloride Openeye Name: 2,4-ditert-butylphenolate; 3-[2-(5,7-diisopropyl-2-methyl-3H-inden-3-id-1-yl)ethyl]-4,6-diisopropyl-2-methyl-1H-inden-1-ide; zirconium(4+); chloride CAS Name: 2,4-ditert-butylphenolate; 2-methyl-3-[2-[2-methyl-5,7-di(propan-2-yl)-3H-inden-3-id-1-yl]ethyl]-4,6-di(propan-2-yl)-1H-inden-1-ide; zirconium(4+); chloride IUPAC Name: 2,4-ditert-butylphenolate; 2-methyl-3-[2-[2-methyl-5,7-di(propan-2-yl)-3H-inden-3-id-1-yl]ethyl]-4,6-di(propan-2-yl)-1H-inden-1-ide; zirconium(4+); chloride Traditional Name: 2,4-ditert-butylphenolate; 3-[2-(5,7-diisopropyl-2-methyl-3H-inden-3-id-1-yl)ethyl]-4,6-diisopropyl-2-methyl-1H-inden-1-ide; zirconium(4+); chloride Formula: C48H65ClOZr MolecularWeight: 784.7061

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C(C=C2[CH-]1)C(C)C)C(C)C)CCC3=C([CH-]C4=CC(=CC(=C43)C(C)C)C(C)C)C.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[Cl-].[Zr+4]

Isomeric SMILES

CC1=C(C2=C(C=C(C=C2[CH-]1)C(C)C)C(C)C)CCC3=C([CH-]C4=CC(=CC(=C43)C(C)C)C(C)C)C.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[Cl-].[Zr+4]

InChI

InChI=1S/C34H44.C14H22O.ClH.Zr/c1-19(2)25-15-27-13-23(9)29(33(27)31(17-25)21(5)6)11-12-30-24(10)14-28-16-26(20(3)4)18-32(22(7)8)34(28)30;1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6;;/h13-22H,11-12H2,1-10H3;7-9,15H,1-6H3;1H;/q-2;;;+4/p-2