sodium 2,3-bis(oxidanyl)propoxysulfonyl (E)-octadec-9-enoate

Systemtic Name: sodium 2,3-bis(oxidanyl)propoxysulfonyl (E)-octadec-9-enoate Openeye Name: sodium 2,3-dihydroxypropoxysulfonyl (E)-octadec-9-enoate CAS Name: sodium (E)-9-octadecenoic acid 2,3-dihydroxypropoxysulfonyl ester IUPAC Name: sodium 2,3-dihydroxypropoxysulfonyl (E)-octadec-9-enoate Traditional Name: sodium (E)-octadec-9-enoic acid glyceryloxysulfonyl ester Formula: C21H40NaO7S+ MolecularWeight: 459.59287

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OS(=O)(=O)OCC(CO)O.[Na+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OS(=O)(=O)OCC(CO)O.[Na+]

InChI

InChI=1S/C21H40O7S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)28-29(25,26)27-19-20(23)18-22;/h9-10,20,22-23H,2-8,11-19H2,1H3;/q;+1/b10-9+;