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

Systemtic Name: 2-butylcyclopenta-1,3-diene; 2,6-dibutoxyphenolate; zirconium(4+) Openeye Name: 2-butylcyclopenta-1,3-diene; 2,6-dibutoxyphenolate; zirconium(4+) CAS Name: 2-butylcyclopenta-1,3-diene; 2,6-dibutoxyphenolate; zirconium(4+) IUPAC Name: 2-butylcyclopenta-1,3-diene; 2,6-dibutoxyphenolate; zirconium(4+) Traditional Name: 2-butylcyclopenta-1,3-diene; 2,6-dibutoxyphenolate; zirconium(4+) Formula: C46H68O6Zr MolecularWeight: 808.25252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.CCCCOC1=C(C(=CC=C1)OCCCC)[O-].CCCCOC1=C(C(=CC=C1)OCCCC)[O-].[Zr+4]

Isomeric SMILES

CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.CCCCOC1=C(C(=CC=C1)OCCCC)[O-].CCCCOC1=C(C(=CC=C1)OCCCC)[O-].[Zr+4]

InChI

InChI=1S/2C14H22O3.2C9H13.Zr/c2*1-3-5-10-16-12-8-7-9-13(14(12)15)17-11-6-4-2;2*1-2-3-6-9-7-4-5-8-9;/h2*7-9,15H,3-6,10-11H2,1-2H3;2*4,7H,2-3,5-6H2,1H3;/q;;2*-1;+4/p-2