sodium 2-oxidanyl-3-(4-oxidanylbut-2-ynoxy)propane-1-sulfonate

Systemtic Name: sodium 2-oxidanyl-3-(4-oxidanylbut-2-ynoxy)propane-1-sulfonate Openeye Name: sodium 2-hydroxy-3-(4-hydroxybut-2-ynoxy)propane-1-sulfonate CAS Name: sodium 2-hydroxy-3-(4-hydroxybut-2-ynoxy)-1-propanesulfonate IUPAC Name: sodium 2-hydroxy-3-(4-hydroxybut-2-ynoxy)propane-1-sulfonate Traditional Name: sodium 2-hydroxy-3-(4-hydroxybut-2-ynoxy)propane-1-sulfonate Formula: C7H11NaO6S MolecularWeight: 246.21341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H12O6S.Na/c8-3-1-2-4-13-5-7(9)6-14(10,11)12;/h7-9H,3-6H2,(H,10,11,12);/q;+1/p-1