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

Systemtic Name: 5-butyl-2-methyl-cyclopenta-1,3-diene; 2,6-dimethoxyphenolate; zirconium(4+) Openeye Name: 5-butyl-2-methyl-cyclopenta-1,3-diene; 2,6-dimethoxyphenolate; zirconium(4+) CAS Name: 5-butyl-2-methylcyclopenta-1,3-diene; 2,6-dimethoxyphenolate; zirconium(4+) IUPAC Name: 5-butyl-2-methylcyclopenta-1,3-diene; 2,6-dimethoxyphenolate; zirconium(4+) Traditional Name: 5-butyl-2-methyl-cyclopenta-1,3-diene; 2,6-dimethoxyphenolate; zirconium(4+) Formula: C36H48O6Zr MolecularWeight: 667.98672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C10H15.2C8H10O3.Zr/c2*1-3-4-5-10-7-6-9(2)8-10;2*1-10-6-4-3-5-7(11-2)8(6)9;/h2*6-8H,3-5H2,1-2H3;2*3-5,9H,1-2H3;/q2*-1;;;+4/p-2