sodium 2-oxidanyl-3-prop-2-ynoxy-propane-1-sulfonate hydrate

Systemtic Name: sodium 2-oxidanyl-3-prop-2-ynoxy-propane-1-sulfonate hydrate Openeye Name: sodium 2-hydroxy-3-prop-2-ynoxy-propane-1-sulfonate hydrate CAS Name: sodium 2-hydroxy-3-prop-2-ynoxy-1-propanesulfonate hydrate IUPAC Name: sodium 2-hydroxy-3-prop-2-ynoxypropane-1-sulfonate hydrate Traditional Name: sodium 2-hydroxy-3-propargyloxy-propane-1-sulfonate hydrate Formula: C6H11NaO6S MolecularWeight: 234.20271

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H10O5S.Na.H2O/c1-2-3-11-4-6(7)5-12(8,9)10;;/h1,6-7H,3-5H2,(H,8,9,10);;1H2/q;+1;/p-1