2,6-dimethoxyphenolate; 2-methyl-5-propyl-cyclopenta-1,3-diene; zirconium(4+)

Systemtic Name: 2,6-dimethoxyphenolate; 2-methyl-5-propyl-cyclopenta-1,3-diene; zirconium(4+) Openeye Name: 2,6-dimethoxyphenolate; 2-methyl-5-propyl-cyclopenta-1,3-diene; zirconium(4+) CAS Name: 2,6-dimethoxyphenolate; 2-methyl-5-propylcyclopenta-1,3-diene; zirconium(4+) IUPAC Name: 2,6-dimethoxyphenolate; 2-methyl-5-propylcyclopenta-1,3-diene; zirconium(4+) Traditional Name: 2,6-dimethoxyphenolate; 2-methyl-5-propyl-cyclopenta-1,3-diene; zirconium(4+) Formula: C34H44O6Zr MolecularWeight: 639.93356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[C-]1C=CC(=C1)C.CCC[C-]1C=CC(=C1)C.COC1=C(C(=CC=C1)OC)[O-].COC1=C(C(=CC=C1)OC)[O-].[Zr+4]

Isomeric SMILES

CCC[C-]1C=CC(=C1)C.CCC[C-]1C=CC(=C1)C.COC1=C(C(=CC=C1)OC)[O-].COC1=C(C(=CC=C1)OC)[O-].[Zr+4]

InChI

InChI=1S/2C9H13.2C8H10O3.Zr/c2*1-3-4-9-6-5-8(2)7-9;2*1-10-6-4-3-5-7(11-2)8(6)9;/h2*5-7H,3-4H2,1-2H3;2*3-5,9H,1-2H3;/q2*-1;;;+4/p-2