4-ethoxy-2,3-bis(oxidanyl)-4-oxidanylidene-butanoate; hexane-1,1,1-triol

Systemtic Name: 4-ethoxy-2,3-bis(oxidanyl)-4-oxidanylidene-butanoate; hexane-1,1,1-triol Openeye Name: 4-ethoxy-2,3-dihydroxy-4-oxo-butanoate; hexane-1,1,1-triol CAS Name: 4-ethoxy-2,3-dihydroxy-4-oxobutanoate; hexane-1,1,1-triol IUPAC Name: 4-ethoxy-2,3-dihydroxy-4-oxobutanoate; hexane-1,1,1-triol Traditional Name: 4-ethoxy-2,3-dihydroxy-4-keto-butyrate; hexane-1,1,1-triol Formula: C12H23O9- MolecularWeight: 311.30562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(O)(O)O.CCOC(=O)C(C(C(=O)[O-])O)O

Isomeric SMILES

CCCCCC(O)(O)O.CCOC(=O)C(C(C(=O)[O-])O)O

InChI

InChI=1S/C6H10O6.C6H14O3/c1-2-12-6(11)4(8)3(7)5(9)10;1-2-3-4-5-6(7,8)9/h3-4,7-8H,2H2,1H3,(H,9,10);7-9H,2-5H2,1H3/p-1