2,6-dimethylphenolate; 2-methyl-1-[2-(2-methylcyclopenta[a]naphthalen-2-id-1-yl)ethyl]cyclopenta[a]naphthalen-2-ide; zirconium(4+); chloride

Systemtic Name: 2,6-dimethylphenolate; 2-methyl-1-[2-(2-methylcyclopenta[a]naphthalen-2-id-1-yl)ethyl]cyclopenta[a]naphthalen-2-ide; zirconium(4+); chloride Openeye Name: 2,6-dimethylphenolate; 2-methyl-1-[2-(2-methylcyclopenta[a]naphthalen-2-id-1-yl)ethyl]cyclopenta[a]naphthalen-2-ide; zirconium(4+); chloride CAS Name: 2,6-dimethylphenolate; 2-methyl-1-[2-(2-methyl-1-cyclopenta[a]naphthalen-2-idyl)ethyl]cyclopenta[a]naphthalen-2-ide; zirconium(4+); chloride IUPAC Name: 2,6-dimethylphenolate; 2-methyl-1-[2-(2-methylcyclopenta[a]naphthalen-2-id-1-yl)ethyl]cyclopenta[a]naphthalen-2-ide; zirconium(4+); chloride Traditional Name: 2,6-dimethylphenolate; 2-methyl-1-[2-(2-methylbenz[e]inden-2-id-1-yl)ethyl]benz[e]inden-2-ide; zirconium(4+); chloride Formula: C38H33ClOZr MolecularWeight: 632.34502

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Descriptors Computed from Structure

Canonical SMILES:

C[C-]1C=C2C=CC3=CC=CC=C3C2=C1CCC4=C5C(=C[C-]4C)C=CC6=CC=CC=C65.CC1=C(C(=CC=C1)C)[O-].[Cl-].[Zr+4]

Isomeric SMILES

C[C-]1C=C2C=CC3=CC=CC=C3C2=C1CCC4=C5C(=C[C-]4C)C=CC6=CC=CC=C65.CC1=C(C(=CC=C1)C)[O-].[Cl-].[Zr+4]

InChI

InChI=1S/C30H24.C8H10O.ClH.Zr/c1-19-17-23-13-11-21-7-3-5-9-27(21)29(23)25(19)15-16-26-20(2)18-24-14-12-22-8-4-6-10-28(22)30(24)26;1-6-4-3-5-7(2)8(6)9;;/h3-14,17-18H,15-16H2,1-2H3;3-5,9H,1-2H3;1H;/q-2;;;+4/p-2