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

Systemtic Name: 2,4-ditert-butylphenolate; 2-methyl-3-[2-(2-methyl-7-phenyl-3H-inden-3-id-1-yl)ethyl]-4-phenyl-1H-inden-1-ide; zirconium(4+); chloride Openeye Name: 2,4-ditert-butylphenolate; 2-methyl-3-[2-(2-methyl-7-phenyl-3H-inden-3-id-1-yl)ethyl]-4-phenyl-1H-inden-1-ide; zirconium(4+); chloride CAS Name: 2,4-ditert-butylphenolate; 2-methyl-3-[2-(2-methyl-7-phenyl-3H-inden-3-id-1-yl)ethyl]-4-phenyl-1H-inden-1-ide; zirconium(4+); chloride IUPAC Name: 2,4-ditert-butylphenolate; 2-methyl-3-[2-(2-methyl-7-phenyl-3H-inden-3-id-1-yl)ethyl]-4-phenyl-1H-inden-1-ide; zirconium(4+); chloride Traditional Name: 2,4-ditert-butylphenolate; 2-methyl-3-[2-(2-methyl-7-phenyl-3H-inden-3-id-1-yl)ethyl]-4-phenyl-1H-inden-1-ide; zirconium(4+); chloride Formula: C48H49ClOZr MolecularWeight: 768.57906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C([CH-]1)C=CC=C2C3=CC=CC=C3)CCC4=C([CH-]C5=C4C(=CC=C5)C6=CC=CC=C6)C.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[Cl-].[Zr+4]

Isomeric SMILES

CC1=C(C2=C([CH-]1)C=CC=C2C3=CC=CC=C3)CCC4=C([CH-]C5=C4C(=CC=C5)C6=CC=CC=C6)C.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[Cl-].[Zr+4]

InChI

InChI=1S/C34H28.C14H22O.ClH.Zr/c1-23-21-27-15-9-17-31(25-11-5-3-6-12-25)33(27)29(23)19-20-30-24(2)22-28-16-10-18-32(34(28)30)26-13-7-4-8-14-26;1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6;;/h3-18,21-22H,19-20H2,1-2H3;7-9,15H,1-6H3;1H;/q-2;;;+4/p-2