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

Systemtic Name: 2,4-ditert-butylphenolate; 2,4,7-trimethyl-3-[2-(2,4,7-trimethyl-3H-inden-3-id-1-yl)ethyl]-1H-inden-1-ide; zirconium(4+); chloride Openeye Name: 2,4-ditert-butylphenolate; 2,4,7-trimethyl-3-[2-(2,4,7-trimethyl-3H-inden-3-id-1-yl)ethyl]-1H-inden-1-ide; zirconium(4+); chloride CAS Name: 2,4-ditert-butylphenolate; 2,4,7-trimethyl-3-[2-(2,4,7-trimethyl-3H-inden-3-id-1-yl)ethyl]-1H-inden-1-ide; zirconium(4+); chloride IUPAC Name: 2,4-ditert-butylphenolate; 2,4,7-trimethyl-3-[2-(2,4,7-trimethyl-3H-inden-3-id-1-yl)ethyl]-1H-inden-1-ide; zirconium(4+); chloride Traditional Name: 2,4-ditert-butylphenolate; 2,4,7-trimethyl-3-[2-(2,4,7-trimethyl-3H-inden-3-id-1-yl)ethyl]-1H-inden-1-ide; zirconium(4+); chloride Formula: C40H49ClOZr MolecularWeight: 672.49346

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H28.C14H22O.ClH.Zr/c1-15-7-9-17(3)25-21(19(5)13-23(15)25)11-12-22-20(6)14-24-16(2)8-10-18(4)26(22)24;1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6;;/h7-10,13-14H,11-12H2,1-6H3;7-9,15H,1-6H3;1H;/q-2;;;+4/p-2