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

Systemtic Name: 1-tert-butyl-3-methyl-cyclopenta-1,3-diene; 2,6-dimethoxyphenolate; zirconium(2+) Openeye Name: 1-tert-butyl-3-methyl-cyclopenta-1,3-diene; 2,6-dimethoxyphenolate; zirconium(2+) CAS Name: 1-tert-butyl-3-methylcyclopenta-1,3-diene; 2,6-dimethoxyphenolate; zirconium(2+) IUPAC Name: 1-tert-butyl-3-methylcyclopenta-1,3-diene; 2,6-dimethoxyphenolate; zirconium(2+) Traditional Name: 1-tert-butyl-3-methyl-cyclopenta-1,3-diene; 2,6-dimethoxyphenolate; zirconium(2+) Formula: C36H48O6Zr2 MolecularWeight: 759.21072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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