butane; 4-hexoxy-2,3-bis(oxidanyl)-4-oxidanylidene-butanoate

Systemtic Name: butane; 4-hexoxy-2,3-bis(oxidanyl)-4-oxidanylidene-butanoate Openeye Name: butane; 4-hexoxy-2,3-dihydroxy-4-oxo-butanoate CAS Name: butane; 4-hexoxy-2,3-dihydroxy-4-oxobutanoate IUPAC Name: butane; 4-hexoxy-2,3-dihydroxy-4-oxobutanoate Traditional Name: 4-hexoxy-2,3-dihydroxy-4-keto-butyrate; n-butane Formula: C14H27O6- MolecularWeight: 291.36058

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Descriptors Computed from Structure

Canonical SMILES:

CCCC.CCCCCCOC(=O)C(C(C(=O)[O-])O)O

Isomeric SMILES

CCCC.CCCCCCOC(=O)C(C(C(=O)[O-])O)O

InChI

InChI=1S/C10H18O6.C4H10/c1-2-3-4-5-6-16-10(15)8(12)7(11)9(13)14;1-3-4-2/h7-8,11-12H,2-6H2,1H3,(H,13,14);3-4H2,1-2H3/p-1