sodium 3-hexoxy-2-oxidanyl-propane-1-sulfonate

Systemtic Name: sodium 3-hexoxy-2-oxidanyl-propane-1-sulfonate Openeye Name: sodium 3-hexoxy-2-hydroxy-propane-1-sulfonate CAS Name: sodium 3-hexoxy-2-hydroxy-1-propanesulfonate IUPAC Name: sodium 3-hexoxy-2-hydroxypropane-1-sulfonate Traditional Name: sodium 3-hexoxy-2-hydroxy-propane-1-sulfonate Formula: C9H19NaO5S MolecularWeight: 262.29893

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOCC(CS(=O)(=O)[O-])O.[Na+]

Isomeric SMILES

CCCCCCOCC(CS(=O)(=O)[O-])O.[Na+]

InChI

InChI=1S/C9H20O5S.Na/c1-2-3-4-5-6-14-7-9(10)8-15(11,12)13;/h9-10H,2-8H2,1H3,(H,11,12,13);/q;+1/p-1