2,4-ditert-butylphenolate; 1-(2-methyl-1H-inden-1-id-4-yl)naphthalene; propan-2-ylidenezirconium(2+); chloride

Systemtic Name: 2,4-ditert-butylphenolate; 1-(2-methyl-1H-inden-1-id-4-yl)naphthalene; propan-2-ylidenezirconium(2+); chloride Openeye Name: 2,4-ditert-butylphenolate; isopropylidenezirconium(2+); 1-(2-methyl-1H-inden-1-id-4-yl)naphthalene; chloride CAS Name: 2,4-ditert-butylphenolate; 1-(2-methyl-1H-inden-1-id-4-yl)naphthalene; propan-2-ylidenezirconium(2+); chloride IUPAC Name: 2,4-ditert-butylphenolate; 1-(2-methyl-1H-inden-1-id-4-yl)naphthalene; propan-2-ylidenezirconium(2+); chloride Traditional Name: 2,4-ditert-butylphenolate; isopropylidenezirconium(2+); 1-(2-methyl-1H-inden-1-id-4-yl)naphthalene; chloride Formula: C57H57ClOZr-2 MolecularWeight: 884.73888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC4=CC=CC=C43.CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC4=CC=CC=C43.CC(=[Zr+2])C.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[Cl-]

Isomeric SMILES

CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC4=CC=CC=C43.CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC4=CC=CC=C43.CC(=[Zr+2])C.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[Cl-]

InChI

InChI=1S/2C20H15.C14H22O.C3H6.ClH.Zr/c2*1-14-12-16-8-5-11-19(20(16)13-14)18-10-4-7-15-6-2-3-9-17(15)18;1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6;1-3-2;;/h2*2-13H,1H3;7-9,15H,1-6H3;1-2H3;1H;/q2*-1;;;;+2/p-2