2,6-dimethoxyphenolate; 2-methylcyclopenta-1,3-diene; zirconium(2+)

Systemtic Name: 2,6-dimethoxyphenolate; 2-methylcyclopenta-1,3-diene; zirconium(2+) Openeye Name: 2,6-dimethoxyphenolate; 2-methylcyclopenta-1,3-diene; zirconium(2+) CAS Name: 2,6-dimethoxyphenolate; 2-methylcyclopenta-1,3-diene; zirconium(2+) IUPAC Name: 2,6-dimethoxyphenolate; 2-methylcyclopenta-1,3-diene; zirconium(2+) Traditional Name: 2,6-dimethoxyphenolate; 2-methylcyclopenta-1,3-diene; zirconium(2+) Formula: C40H46O6Zr2-2 MolecularWeight: 805.23764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C8H10O3.4C6H7.2Zr/c2*1-10-6-4-3-5-7(11-2)8(6)9;4*1-6-4-2-3-5-6;;/h2*3-5,9H,1-2H3;4*2,4H,3H2,1H3;;/q;;4*-1;2*+2/p-2