4,4,4-tributoxy-3-oxidanylidene-butanoate; zirconium(2+)

Systemtic Name: 4,4,4-tributoxy-3-oxidanylidene-butanoate; zirconium(2+) Openeye Name: 4,4,4-tributoxy-3-oxo-butanoate; zirconium(2+) CAS Name: 4,4,4-tributoxy-3-oxobutanoate; zirconium(2+) IUPAC Name: 4,4,4-tributoxy-3-oxobutanoate; zirconium(2+) Traditional Name: 4,4,4-tributoxy-3-keto-butyrate; zirconium(2+) Formula: C32H58O12Zr MolecularWeight: 726.01972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(C(=O)CC(=O)[O-])(OCCCC)OCCCC.CCCCOC(C(=O)CC(=O)[O-])(OCCCC)OCCCC.[Zr+2]

Isomeric SMILES

CCCCOC(C(=O)CC(=O)[O-])(OCCCC)OCCCC.CCCCOC(C(=O)CC(=O)[O-])(OCCCC)OCCCC.[Zr+2]

InChI

InChI=1S/2C16H30O6.Zr/c2*1-4-7-10-20-16(21-11-8-5-2,22-12-9-6-3)14(17)13-15(18)19;/h2*4-13H2,1-3H3,(H,18,19);/q;;+2/p-2