sodium 2-[1,2-bis(oxidanyl)-2-oxidanylidene-ethyl]hexanoate hydrate

Systemtic Name: sodium 2-[1,2-bis(oxidanyl)-2-oxidanylidene-ethyl]hexanoate hydrate Openeye Name: sodium 2-(1,2-dihydroxy-2-oxo-ethyl)hexanoate hydrate CAS Name: sodium 2-(1,2-dihydroxy-2-oxoethyl)hexanoate hydrate IUPAC Name: sodium 2-(1,2-dihydroxy-2-oxoethyl)hexanoate hydrate Traditional Name: sodium 2-(1,2-dihydroxy-2-keto-ethyl)hexanoate hydrate Formula: C8H15NaO6 MolecularWeight: 230.19087

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C(=O)O)O)C(=O)[O-].O.[Na+]

Isomeric SMILES

CCCCC(C(C(=O)O)O)C(=O)[O-].O.[Na+]

InChI

InChI=1S/C8H14O5.Na.H2O/c1-2-3-4-5(7(10)11)6(9)8(12)13;;/h5-6,9H,2-4H2,1H3,(H,10,11)(H,12,13);;1H2/q;+1;/p-1