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

Systemtic Name: 2,4-ditert-butylphenolate; 2-methyl-3-[4-(2-methyl-7-phenyl-3H-inden-3-id-1-yl)butyl]-4-phenyl-1H-inden-1-ide; zirconium(4+); chloride Openeye Name: 2,4-ditert-butylphenolate; 2-methyl-3-[4-(2-methyl-7-phenyl-3H-inden-3-id-1-yl)butyl]-4-phenyl-1H-inden-1-ide; zirconium(4+); chloride CAS Name: 2,4-ditert-butylphenolate; 2-methyl-3-[4-(2-methyl-7-phenyl-3H-inden-3-id-1-yl)butyl]-4-phenyl-1H-inden-1-ide; zirconium(4+); chloride IUPAC Name: 2,4-ditert-butylphenolate; 2-methyl-3-[4-(2-methyl-7-phenyl-3H-inden-3-id-1-yl)butyl]-4-phenyl-1H-inden-1-ide; zirconium(4+); chloride Traditional Name: 2,4-ditert-butylphenolate; 2-methyl-3-[4-(2-methyl-7-phenyl-3H-inden-3-id-1-yl)butyl]-4-phenyl-1H-inden-1-ide; zirconium(4+); chloride Formula: C50H53ClOZr MolecularWeight: 796.63222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C([CH-]1)C=CC=C2C3=CC=CC=C3)CCCCC4=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)CCCCC4=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/C36H32.C14H22O.ClH.Zr/c1-25-23-29-17-11-21-33(27-13-5-3-6-14-27)35(29)31(25)19-9-10-20-32-26(2)24-30-18-12-22-34(36(30)32)28-15-7-4-8-16-28;1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6;;/h3-8,11-18,21-24H,9-10,19-20H2,1-2H3;7-9,15H,1-6H3;1H;/q-2;;;+4/p-2