(3-octadecoxy-2-oxidanyl-propyl) hydrogen sulfate

Systemtic Name: (3-octadecoxy-2-oxidanyl-propyl) hydrogen sulfate Openeye Name: (2-hydroxy-3-octadecoxy-propyl) hydrogen sulfate CAS Name: sulfuric acid (2-hydroxy-3-octadecoxypropyl) ester IUPAC Name: (2-hydroxy-3-octadecoxypropyl) hydrogen sulfate Traditional Name: sulfuric acid (2-hydroxy-3-stearyloxy-propyl) ester Formula: C21H44O6S MolecularWeight: 424.63546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COS(=O)(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COS(=O)(=O)O)O

InChI

InChI=1S/C21H44O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-19-21(22)20-27-28(23,24)25/h21-22H,2-20H2,1H3,(H,23,24,25)