azanium 2,3-bis(oxidanyl)propylsulfonyl (E)-octadec-9-enoate

Systemtic Name: azanium 2,3-bis(oxidanyl)propylsulfonyl (E)-octadec-9-enoate Openeye Name: ammonium 2,3-dihydroxypropylsulfonyl (E)-octadec-9-enoate CAS Name: ammonium (E)-9-octadecenoic acid 2,3-dihydroxypropylsulfonyl ester IUPAC Name: azanium 2,3-dihydroxypropylsulfonyl (E)-octadec-9-enoate Traditional Name: ammonium (E)-octadec-9-enoic acid glycerylsulfonyl ester Formula: C21H44NO6S+ MolecularWeight: 438.64216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OS(=O)(=O)CC(CO)O.[NH4+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OS(=O)(=O)CC(CO)O.[NH4+]

InChI

InChI=1S/C21H40O6S.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)27-28(25,26)19-20(23)18-22;/h9-10,20,22-23H,2-8,11-19H2,1H3;1H3/p+1/b10-9+;