sodium 3,3,4,4,5,5,5-heptadeuterio-2-(3-oxidanylpropyl)pentanoate

Systemtic Name: sodium 3,3,4,4,5,5,5-heptadeuterio-2-(3-oxidanylpropyl)pentanoate Openeye Name: sodium 3,3,4,4,5,5,5-heptadeuterio-2-(3-hydroxypropyl)pentanoate CAS Name: sodium 3,3,4,4,5,5,5-heptadeuterio-2-(3-hydroxypropyl)pentanoate IUPAC Name: sodium 3,3,4,4,5,5,5-heptadeuterio-2-(3-hydroxypropyl)pentanoate Traditional Name: sodium 3,3,4,4,5,5,5-heptadeuterio-2-(3-hydroxypropyl)valerate Formula: C8H15NaO3 MolecularWeight: 189.235802

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCCO)C(=O)[O-].[Na+]

Isomeric SMILES

[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C(CCCO)C(=O)[O-].[Na+]

InChI

InChI=1S/C8H16O3.Na/c1-2-4-7(8(10)11)5-3-6-9;/h7,9H,2-6H2,1H3,(H,10,11);/q;+1/p-1/i1D3,2D2,4D2;