2-(dibutoxymethyl)-2-ethoxy-butanoate; zirconium(4+)

Systemtic Name: 2-(dibutoxymethyl)-2-ethoxy-butanoate; zirconium(4+) Openeye Name: 2-(dibutoxymethyl)-2-ethoxy-butanoate; zirconium(4+) CAS Name: 2-(dibutoxymethyl)-2-ethoxybutanoate; zirconium(4+) IUPAC Name: 2-(dibutoxymethyl)-2-ethoxybutanoate; zirconium(4+) Traditional Name: 2-(dibutoxymethyl)-2-ethoxy-butyrate; zirconium(4+) Formula: C60H116O20Zr MolecularWeight: 1248.77504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(C(CC)(C(=O)[O-])OCC)OCCCC.CCCCOC(C(CC)(C(=O)[O-])OCC)OCCCC.CCCCOC(C(CC)(C(=O)[O-])OCC)OCCCC.CCCCOC(C(CC)(C(=O)[O-])OCC)OCCCC.[Zr+4]

Isomeric SMILES

CCCCOC(C(CC)(C(=O)[O-])OCC)OCCCC.CCCCOC(C(CC)(C(=O)[O-])OCC)OCCCC.CCCCOC(C(CC)(C(=O)[O-])OCC)OCCCC.CCCCOC(C(CC)(C(=O)[O-])OCC)OCCCC.[Zr+4]

InChI

InChI=1S/4C15H30O5.Zr/c4*1-5-9-11-18-14(19-12-10-6-2)15(7-3,13(16)17)20-8-4;/h4*14H,5-12H2,1-4H3,(H,16,17);/q;;;;+4/p-4