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

Systemtic Name: 2,6-dimethoxyphenolate; 2-propylcyclopenta-1,3-diene; zirconium(2+) Openeye Name: 2,6-dimethoxyphenolate; 2-propylcyclopenta-1,3-diene; zirconium(2+) CAS Name: 2,6-dimethoxyphenolate; 2-propylcyclopenta-1,3-diene; zirconium(2+) IUPAC Name: 2,6-dimethoxyphenolate; 2-propylcyclopenta-1,3-diene; zirconium(2+) Traditional Name: 2,6-dimethoxyphenolate; 2-propylcyclopenta-1,3-diene; zirconium(2+) Formula: C48H62O6Zr2-2 MolecularWeight: 917.45028

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=[C-]CC=C1.CCCC1=[C-]CC=C1.CCCC1=[C-]CC=C1.CCCC1=[C-]CC=C1.COC1=C(C(=CC=C1)OC)[O-].COC1=C(C(=CC=C1)OC)[O-].[Zr+2].[Zr+2]

Isomeric SMILES

CCCC1=[C-]CC=C1.CCCC1=[C-]CC=C1.CCCC1=[C-]CC=C1.CCCC1=[C-]CC=C1.COC1=C(C(=CC=C1)OC)[O-].COC1=C(C(=CC=C1)OC)[O-].[Zr+2].[Zr+2]

InChI

InChI=1S/2C8H10O3.4C8H11.2Zr/c2*1-10-6-4-3-5-7(11-2)8(6)9;4*1-2-5-8-6-3-4-7-8;;/h2*3-5,9H,1-2H3;4*3,6H,2,4-5H2,1H3;;/q;;4*-1;2*+2/p-2