2,6-dimethoxyphenolate; 1H-inden-1-ide; zirconium(2+)

Systemtic Name: 2,6-dimethoxyphenolate; 1H-inden-1-ide; zirconium(2+) Openeye Name: 2,6-dimethoxyphenolate; 1H-inden-1-ide; zirconium(2+) CAS Name: 2,6-dimethoxyphenolate; 1H-inden-1-ide; zirconium(2+) IUPAC Name: 2,6-dimethoxyphenolate; 1H-inden-1-ide; zirconium(2+) Traditional Name: 2,6-dimethoxyphenolate; 1H-inden-1-ide; zirconium(2+) Formula: C52H46O6Zr2-2 MolecularWeight: 949.36604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)[O-].COC1=C(C(=CC=C1)OC)[O-].[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[Zr+2].[Zr+2]

Isomeric SMILES

COC1=C(C(=CC=C1)OC)[O-].COC1=C(C(=CC=C1)OC)[O-].[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[Zr+2].[Zr+2]

InChI

InChI=1S/4C9H7.2C8H10O3.2Zr/c4*1-2-5-9-7-3-6-8(9)4-1;2*1-10-6-4-3-5-7(11-2)8(6)9;;/h4*1-7H;2*3-5,9H,1-2H3;;/q4*-1;;;2*+2/p-2