(9S,10R)-10-(2-carboxyethylsulfanyl)-9-oxidanyl-octadecanoic acid

Systemtic Name: (9S,10R)-10-(2-carboxyethylsulfanyl)-9-oxidanyl-octadecanoic acid Openeye Name: (9S,10R)-10-(2-carboxyethylsulfanyl)-9-hydroxy-octadecanoic acid CAS Name: (9S,10R)-10-(2-carboxyethylthio)-9-hydroxyoctadecanoic acid IUPAC Name: (9S,10R)-10-(2-carboxyethylsulfanyl)-9-hydroxyoctadecanoic acid Traditional Name: (9S,10R)-10-(2-carboxyethylthio)-9-hydroxy-stearic acid Formula: C21H40O5S MolecularWeight: 404.6043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(CCCCCCCC(=O)O)O)SCCC(=O)O

Isomeric SMILES

CCCCCCCC[C@H]([C@H](CCCCCCCC(=O)O)O)SCCC(=O)O

InChI

InChI=1S/C21H40O5S/c1-2-3-4-5-8-11-14-19(27-17-16-21(25)26)18(22)13-10-7-6-9-12-15-20(23)24/h18-19,22H,2-17H2,1H3,(H,23,24)(H,25,26)/t18-,19+/m0/s1