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

Systemtic Name: 2,4-ditert-butylphenolate; 2-methyl-3-[4-(2-methyl-7-propan-2-yl-3H-inden-3-id-1-yl)butyl]-4-propan-2-yl-1H-inden-1-ide; zirconium(4+); chloride Openeye Name: 2,4-ditert-butylphenolate; 4-isopropyl-3-[4-(7-isopropyl-2-methyl-3H-inden-3-id-1-yl)butyl]-2-methyl-1H-inden-1-ide; zirconium(4+); chloride CAS Name: 2,4-ditert-butylphenolate; 2-methyl-3-[4-(2-methyl-7-propan-2-yl-3H-inden-3-id-1-yl)butyl]-4-propan-2-yl-1H-inden-1-ide; zirconium(4+); chloride IUPAC Name: 2,4-ditert-butylphenolate; 2-methyl-3-[4-(2-methyl-7-propan-2-yl-3H-inden-3-id-1-yl)butyl]-4-propan-2-yl-1H-inden-1-ide; zirconium(4+); chloride Traditional Name: 2,4-ditert-butylphenolate; 4-isopropyl-3-[4-(7-isopropyl-2-methyl-3H-inden-3-id-1-yl)butyl]-2-methyl-1H-inden-1-ide; zirconium(4+); chloride Formula: C44H57ClOZr MolecularWeight: 728.59978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C([CH-]1)C=CC=C2C(C)C)CCCCC3=C([CH-]C4=C3C(=CC=C4)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([CH-]1)C=CC=C2C(C)C)CCCCC3=C([CH-]C4=C3C(=CC=C4)C(C)C)C.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[Cl-].[Zr+4]

InChI

InChI=1S/C30H36.C14H22O.ClH.Zr/c1-19(2)25-15-9-11-23-17-21(5)27(29(23)25)13-7-8-14-28-22(6)18-24-12-10-16-26(20(3)4)30(24)28;1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6;;/h9-12,15-20H,7-8,13-14H2,1-6H3;7-9,15H,1-6H3;1H;/q-2;;;+4/p-2