sodium 3-(3-heptylundecanoyloxy)-2-oxidanyl-propane-1-sulfonate

Systemtic Name: sodium 3-(3-heptylundecanoyloxy)-2-oxidanyl-propane-1-sulfonate Openeye Name: sodium 3-(3-heptylundecanoyloxy)-2-hydroxy-propane-1-sulfonate CAS Name: sodium 3-(3-heptyl-1-oxoundecoxy)-2-hydroxy-1-propanesulfonate IUPAC Name: sodium 3-(3-heptylundecanoyloxy)-2-hydroxypropane-1-sulfonate Traditional Name: sodium 3-(3-heptylundecanoyloxy)-2-hydroxy-propane-1-sulfonate Formula: C21H41NaO6S MolecularWeight: 444.60141

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCC)CC(=O)OCC(CS(=O)(=O)[O-])O.[Na+]

Isomeric SMILES

CCCCCCCCC(CCCCCCC)CC(=O)OCC(CS(=O)(=O)[O-])O.[Na+]

InChI

InChI=1S/C21H42O6S.Na/c1-3-5-7-9-11-13-15-19(14-12-10-8-6-4-2)16-21(23)27-17-20(22)18-28(24,25)26;/h19-20,22H,3-18H2,1-2H3,(H,24,25,26);/q;+1/p-1