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

Systemtic Name: 2,6-dimethoxyphenolate; 2-methyl-1H-inden-1-ide; zirconium(2+) Openeye Name: 2,6-dimethoxyphenolate; 2-methyl-1H-inden-1-ide; zirconium(2+) CAS Name: 2,6-dimethoxyphenolate; 2-methyl-1H-inden-1-ide; zirconium(2+) IUPAC Name: 2,6-dimethoxyphenolate; 2-methyl-1H-inden-1-ide; zirconium(2+) Traditional Name: 2,6-dimethoxyphenolate; 2-methyl-1H-inden-1-ide; zirconium(2+) Formula: C36H36O6Zr2 MolecularWeight: 747.11544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2[CH-]1.CC1=CC2=CC=CC=C2[CH-]1.COC1=C(C(=CC=C1)OC)[O-].COC1=C(C(=CC=C1)OC)[O-].[Zr+2].[Zr+2]

Isomeric SMILES

CC1=CC2=CC=CC=C2[CH-]1.CC1=CC2=CC=CC=C2[CH-]1.COC1=C(C(=CC=C1)OC)[O-].COC1=C(C(=CC=C1)OC)[O-].[Zr+2].[Zr+2]

InChI

InChI=1S/2C10H9.2C8H10O3.2Zr/c2*1-8-6-9-4-2-3-5-10(9)7-8;2*1-10-6-4-3-5-7(11-2)8(6)9;;/h2*2-7H,1H3;2*3-5,9H,1-2H3;;/q2*-1;;;2*+2/p-2