methylsulfonyl 2-(methylcarbamoyloxy)-3-octadecoxy-propane-1-sulfonate

Systemtic Name: methylsulfonyl 2-(methylcarbamoyloxy)-3-octadecoxy-propane-1-sulfonate Openeye Name: methylsulfonyl 2-(methylcarbamoyloxy)-3-octadecoxy-propane-1-sulfonate CAS Name: 2-(methylcarbamoyloxy)-3-octadecoxy-1-propanesulfonic acid IUPAC Name: methylsulfonyl 2-(methylcarbamoyloxy)-3-octadecoxypropane-1-sulfonate Traditional Name: 2-(methylcarbamoyloxy)-3-stearyloxy-propane-1-sulfonic acid mesyl ester Formula: C24H49NO8S2 MolecularWeight: 543.77776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CS(=O)(=O)OS(=O)(=O)C)OC(=O)NC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CS(=O)(=O)OS(=O)(=O)C)OC(=O)NC

InChI

InChI=1S/C24H49NO8S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31-21-23(32-24(26)25-2)22-35(29,30)33-34(3,27)28/h23H,4-22H2,1-3H3,(H,25,26)