3-(3-oxidanylbut-1-ynoxy)propane-1-sulfonic acid; sodium

Systemtic Name: 3-(3-oxidanylbut-1-ynoxy)propane-1-sulfonic acid; sodium Openeye Name: 3-(3-hydroxybut-1-ynoxy)propane-1-sulfonic acid; sodium CAS Name: 3-(3-hydroxybut-1-ynoxy)-1-propanesulfonic acid; sodium IUPAC Name: 3-(3-hydroxybut-1-ynoxy)propane-1-sulfonic acid; sodium Traditional Name: 3-(3-hydroxybut-1-ynoxy)propane-1-sulfonic acid; sodium Formula: C7H12NaO5S MolecularWeight: 231.22195

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#COCCCS(=O)(=O)O)O.[Na]

Isomeric SMILES

CC(C#COCCCS(=O)(=O)O)O.[Na]

InChI

InChI=1S/C7H12O5S.Na/c1-7(8)3-5-12-4-2-6-13(9,10)11;/h7-8H,2,4,6H2,1H3,(H,9,10,11);