5,6-dimethoxy-1H-inden-1-ide; 4-oxidanylbenzenecarbonitrile; zirconium(2+)

Systemtic Name: 5,6-dimethoxy-1H-inden-1-ide; 4-oxidanylbenzenecarbonitrile; zirconium(2+) Openeye Name: 5,6-dimethoxy-1H-inden-1-ide; 4-hydroxybenzonitrile; zirconium(2+) CAS Name: 5,6-dimethoxy-1H-inden-1-ide; 4-hydroxybenzonitrile; zirconium(2+) IUPAC Name: 5,6-dimethoxy-1H-inden-1-ide; 4-hydroxybenzonitrile; zirconium(2+) Traditional Name: 5,6-dimethoxy-1H-inden-1-ide; 4-hydroxybenzonitrile; zirconium(2+) Formula: C36H32N2O6Zr MolecularWeight: 679.87308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=C[CH-]C2=C1)OC.COC1=C(C=C2C=C[CH-]C2=C1)OC.C1=CC(=CC=C1C#N)O.C1=CC(=CC=C1C#N)O.[Zr+2]

Isomeric SMILES

COC1=C(C=C2C=C[CH-]C2=C1)OC.COC1=C(C=C2C=C[CH-]C2=C1)OC.C1=CC(=CC=C1C#N)O.C1=CC(=CC=C1C#N)O.[Zr+2]

InChI

InChI=1S/2C11H11O2.2C7H5NO.Zr/c2*1-12-10-6-8-4-3-5-9(8)7-11(10)13-2;2*8-5-6-1-3-7(9)4-2-6;/h2*3-7H,1-2H3;2*1-4,9H;/q2*-1;;;+2