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

Systemtic Name: cyclopenta-1,3-diene; 2,6-dimethoxyphenolate; zirconium(2+) Openeye Name: cyclopenta-1,3-diene; 2,6-dimethoxyphenolate; zirconium(2+) CAS Name: cyclopenta-1,3-diene; 2,6-dimethoxyphenolate; zirconium(2+) IUPAC Name: cyclopenta-1,3-diene; 2,6-dimethoxyphenolate; zirconium(2+) Traditional Name: cyclopenta-1,3-diene; 2,6-dimethoxyphenolate; zirconium(2+) Formula: C36H38O6Zr2-2 MolecularWeight: 749.13132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)[O-].COC1=C(C(=CC=C1)OC)[O-].C1C=CC=[C-]1.C1C=CC=[C-]1.C1C=CC=[C-]1.C1C=CC=[C-]1.[Zr+2].[Zr+2]

Isomeric SMILES

COC1=C(C(=CC=C1)OC)[O-].COC1=C(C(=CC=C1)OC)[O-].C1C=CC=[C-]1.C1C=CC=[C-]1.C1C=CC=[C-]1.C1C=CC=[C-]1.[Zr+2].[Zr+2]

InChI

InChI=1S/2C8H10O3.4C5H5.2Zr/c2*1-10-6-4-3-5-7(11-2)8(6)9;4*1-2-4-5-3-1;;/h2*3-5,9H,1-2H3;4*1-3H,4H2;;/q;;4*-1;2*+2/p-2