4-ethoxy-2-(2-ethoxy-2-oxidanylidene-ethyl)-2-oxidanyl-4-oxidanylidene-butanoic acid; propan-1-ol; zirconium

Systemtic Name: 4-ethoxy-2-(2-ethoxy-2-oxidanylidene-ethyl)-2-oxidanyl-4-oxidanylidene-butanoic acid; propan-1-ol; zirconium Openeye Name: 4-ethoxy-2-(2-ethoxy-2-oxo-ethyl)-2-hydroxy-4-oxo-butanoic acid; propan-1-ol; zirconium CAS Name: 4-ethoxy-2-(2-ethoxy-2-oxoethyl)-2-hydroxy-4-oxobutanoic acid; 1-propanol; zirconium IUPAC Name: 4-ethoxy-2-(2-ethoxy-2-oxoethyl)-2-hydroxy-4-oxobutanoic acid; propan-1-ol; zirconium Traditional Name: 4-ethoxy-2-(2-ethoxy-2-keto-ethyl)-2-hydroxy-4-keto-butyric acid; propan-1-ol; zirconium Formula: C26H48O16Zr MolecularWeight: 707.87372

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Descriptors Computed from Structure

Canonical SMILES:

CCCO.CCCO.CCOC(=O)CC(CC(=O)OCC)(C(=O)O)O.CCOC(=O)CC(CC(=O)OCC)(C(=O)O)O.[Zr]

Isomeric SMILES

CCCO.CCCO.CCOC(=O)CC(CC(=O)OCC)(C(=O)O)O.CCOC(=O)CC(CC(=O)OCC)(C(=O)O)O.[Zr]

InChI

InChI=1S/2C10H16O7.2C3H8O.Zr/c2*1-3-16-7(11)5-10(15,9(13)14)6-8(12)17-4-2;2*1-2-3-4;/h2*15H,3-6H2,1-2H3,(H,13,14);2*4H,2-3H2,1H3;