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

Systemtic Name: 2,4-ditert-butylphenolate; 2-methyl-3-[4-(2-methyl-3H-inden-3-id-1-yl)butyl]-1H-inden-1-ide; zirconium(4+); chloride Openeye Name: 2,4-ditert-butylphenolate; 2-methyl-3-[4-(2-methyl-3H-inden-3-id-1-yl)butyl]-1H-inden-1-ide; zirconium(4+); chloride CAS Name: 2,4-ditert-butylphenolate; 2-methyl-3-[4-(2-methyl-3H-inden-3-id-1-yl)butyl]-1H-inden-1-ide; zirconium(4+); chloride IUPAC Name: 2,4-ditert-butylphenolate; 2-methyl-3-[4-(2-methyl-3H-inden-3-id-1-yl)butyl]-1H-inden-1-ide; zirconium(4+); chloride Traditional Name: 2,4-ditert-butylphenolate; 2-methyl-3-[4-(2-methyl-3H-inden-3-id-1-yl)butyl]-1H-inden-1-ide; zirconium(4+); chloride Formula: C38H45ClOZr MolecularWeight: 644.4403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2[CH-]1)CCCCC3=C([CH-]C4=CC=CC=C43)C.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[Cl-].[Zr+4]

Isomeric SMILES

CC1=C(C2=CC=CC=C2[CH-]1)CCCCC3=C([CH-]C4=CC=CC=C43)C.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[Cl-].[Zr+4]

InChI

InChI=1S/C24H24.C14H22O.ClH.Zr/c1-17-15-19-9-3-5-13-23(19)21(17)11-7-8-12-22-18(2)16-20-10-4-6-14-24(20)22;1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6;;/h3-6,9-10,13-16H,7-8,11-12H2,1-2H3;7-9,15H,1-6H3;1H;/q-2;;;+4/p-2