cyclopenta-1,3-diene; 2,6-dimethoxyphenolate; 9H-fluoren-9-ide; zirconium(2+)

Systemtic Name: cyclopenta-1,3-diene; 2,6-dimethoxyphenolate; 9H-fluoren-9-ide; zirconium(2+) Openeye Name: cyclopenta-1,3-diene; 2,6-dimethoxyphenolate; 9H-fluoren-9-ide; zirconium(2+) CAS Name: cyclopenta-1,3-diene; 2,6-dimethoxyphenolate; 9H-fluoren-9-ide; zirconium(2+) IUPAC Name: cyclopenta-1,3-diene; 2,6-dimethoxyphenolate; 9H-fluoren-9-ide; zirconium(2+) Traditional Name: cyclopenta-1,3-diene; 2,6-dimethoxyphenolate; 9H-fluoren-9-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-].C1C=CC=[C-]1.C1C=CC=[C-]1.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[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.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[Zr+2].[Zr+2]

InChI

InChI=1S/2C13H9.2C8H10O3.2C5H5.2Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-10-6-4-3-5-7(11-2)8(6)9;2*1-2-4-5-3-1;;/h2*1-9H;2*3-5,9H,1-2H3;2*1-3H,4H2;;/q2*-1;;;2*-1;2*+2/p-2