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

Systemtic Name: 2,2,4-tributoxy-3-oxidanylidene-hexanoate; zirconium(2+) Openeye Name: 2,2,4-tributoxy-3-oxo-hexanoate; zirconium(2+) CAS Name: 2,2,4-tributoxy-3-oxohexanoate; zirconium(2+) IUPAC Name: 2,2,4-tributoxy-3-oxohexanoate; zirconium(2+) Traditional Name: 2,2,4-tributoxy-3-keto-hexanoate; zirconium(2+) Formula: C36H66O12Zr MolecularWeight: 782.12604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C18H34O6.Zr/c2*1-5-9-12-22-15(8-4)16(19)18(17(20)21,23-13-10-6-2)24-14-11-7-3;/h2*15H,5-14H2,1-4H3,(H,20,21);/q;;+2/p-2