3-(3-heptylundecanoyloxy)-2-oxidanyl-propane-1-sulfonic acid

Systemtic Name: 3-(3-heptylundecanoyloxy)-2-oxidanyl-propane-1-sulfonic acid Openeye Name: 3-(3-heptylundecanoyloxy)-2-hydroxy-propane-1-sulfonic acid CAS Name: 3-(3-heptyl-1-oxoundecoxy)-2-hydroxy-1-propanesulfonic acid IUPAC Name: 3-(3-heptylundecanoyloxy)-2-hydroxypropane-1-sulfonic acid Traditional Name: 3-(3-heptylundecanoyloxy)-2-hydroxy-propane-1-sulfonic acid Formula: C21H42O6S MolecularWeight: 422.61958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCC)CC(=O)OCC(CS(=O)(=O)O)O

Isomeric SMILES

CCCCCCCCC(CCCCCCC)CC(=O)OCC(CS(=O)(=O)O)O

InChI

InChI=1S/C21H42O6S/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)