5-ethoxy-3-ethoxycarbonyl-3-oxidanyl-5-oxidanylidene-pentanoate; propan-2-olate; zirconium(4+)

Systemtic Name: 5-ethoxy-3-ethoxycarbonyl-3-oxidanyl-5-oxidanylidene-pentanoate; propan-2-olate; zirconium(4+) Openeye Name: 5-ethoxy-3-ethoxycarbonyl-3-hydroxy-5-oxo-pentanoate; propan-2-olate; zirconium(4+) CAS Name: 5-ethoxy-3-ethoxycarbonyl-3-hydroxy-5-oxopentanoate; 2-propanolate; zirconium(4+) IUPAC Name: 5-ethoxy-3-ethoxycarbonyl-3-hydroxy-5-oxopentanoate; propan-2-olate; zirconium(4+) Traditional Name: 3-carbethoxy-5-ethoxy-3-hydroxy-5-keto-valerate; propan-2-olate; zirconium(4+) Formula: C26H44O16Zr MolecularWeight: 703.84196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C10H16O7.2C3H7O.Zr/c2*1-3-16-8(13)6-10(15,5-7(11)12)9(14)17-4-2;2*1-3(2)4;/h2*15H,3-6H2,1-2H3,(H,11,12);2*3H,1-2H3;/q;;2*-1;+4/p-2