sodium 3-(3-methylpent-1-yn-3-yloxy)-2-oxidanyl-propane-1-sulfonate

Systemtic Name: sodium 3-(3-methylpent-1-yn-3-yloxy)-2-oxidanyl-propane-1-sulfonate Openeye Name: sodium 3-(1-ethyl-1-methyl-prop-2-ynoxy)-2-hydroxy-propane-1-sulfonate CAS Name: sodium 2-hydroxy-3-(3-methylpent-1-yn-3-yloxy)-1-propanesulfonate IUPAC Name: sodium 2-hydroxy-3-(3-methylpent-1-yn-3-yloxy)propane-1-sulfonate Traditional Name: sodium 3-(1-ethyl-1-methyl-prop-2-ynoxy)-2-hydroxy-propane-1-sulfonate Formula: C9H15NaO5S MolecularWeight: 258.26717

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H16O5S.Na/c1-4-9(3,5-2)14-6-8(10)7-15(11,12)13;/h1,8,10H,5-7H2,2-3H3,(H,11,12,13);/q;+1/p-1