2-butylcyclopenta-1,3-diene; 2,6-dipropoxyphenolate; zirconium(4+)

Systemtic Name: 2-butylcyclopenta-1,3-diene; 2,6-dipropoxyphenolate; zirconium(4+) Openeye Name: 2-butylcyclopenta-1,3-diene; 2,6-dipropoxyphenolate; zirconium(4+) CAS Name: 2-butylcyclopenta-1,3-diene; 2,6-dipropoxyphenolate; zirconium(4+) IUPAC Name: 2-butylcyclopenta-1,3-diene; 2,6-dipropoxyphenolate; zirconium(4+) Traditional Name: 2-butylcyclopenta-1,3-diene; 2,6-dipropoxyphenolate; zirconium(4+) Formula: C42H60O6Zr MolecularWeight: 752.1462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.CCCOC1=C(C(=CC=C1)OCCC)[O-].CCCOC1=C(C(=CC=C1)OCCC)[O-].[Zr+4]

Isomeric SMILES

CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.CCCOC1=C(C(=CC=C1)OCCC)[O-].CCCOC1=C(C(=CC=C1)OCCC)[O-].[Zr+4]

InChI

InChI=1S/2C12H18O3.2C9H13.Zr/c2*1-3-8-14-10-6-5-7-11(12(10)13)15-9-4-2;2*1-2-3-6-9-7-4-5-8-9;/h2*5-7,13H,3-4,8-9H2,1-2H3;2*4,7H,2-3,5-6H2,1H3;/q;;2*-1;+4/p-2