sodium 4-(3-methylpent-1-yn-3-yloxy)-4-oxidanylidene-butanoate

Systemtic Name: sodium 4-(3-methylpent-1-yn-3-yloxy)-4-oxidanylidene-butanoate Openeye Name: sodium 4-(1-ethyl-1-methyl-prop-2-ynoxy)-4-oxo-butanoate CAS Name: sodium 4-(3-methylpent-1-yn-3-yloxy)-4-oxobutanoate IUPAC Name: sodium 4-(3-methylpent-1-yn-3-yloxy)-4-oxobutanoate Traditional Name: sodium 4-(1-ethyl-1-methyl-prop-2-ynoxy)-4-keto-butyrate Formula: C10H13NaO4 MolecularWeight: 220.19759

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C#C)OC(=O)CCC(=O)[O-].[Na+]

Isomeric SMILES

CCC(C)(C#C)OC(=O)CCC(=O)[O-].[Na+]

InChI

InChI=1S/C10H14O4.Na/c1-4-10(3,5-2)14-9(13)7-6-8(11)12;/h1H,5-7H2,2-3H3,(H,11,12);/q;+1/p-1