2,3-bis(oxidanyl)propyl octadecanoate; 3-(2-carboxyethyldisulfanyl)propanoic acid

Systemtic Name: 2,3-bis(oxidanyl)propyl octadecanoate; 3-(2-carboxyethyldisulfanyl)propanoic acid Openeye Name: 3-(2-carboxyethyldisulfanyl)propanoic acid; 2,3-dihydroxypropyl octadecanoate CAS Name: 3-(2-carboxyethyldisulfanyl)propanoic acid; octadecanoic acid 2,3-dihydroxypropyl ester IUPAC Name: 3-(2-carboxyethyldisulfanyl)propanoic acid; 2,3-dihydroxypropyl octadecanoate Traditional Name: 3-(2-carboxyethyldisulfanyl)propionic acid; stearic acid glyceryl ester Formula: C27H52O8S2 MolecularWeight: 568.82698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O.C(CSSCCC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O.C(CSSCCC(=O)O)C(=O)O

InChI

InChI=1S/C21H42O4.C6H10O4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22;7-5(8)1-3-11-12-4-2-6(9)10/h20,22-23H,2-19H2,1H3;1-4H2,(H,7,8)(H,9,10)