(6S,7S)-7-(2-carboxyethylsulfanyl)-6-oxidanyl-octadecanoic acid

Systemtic Name: (6S,7S)-7-(2-carboxyethylsulfanyl)-6-oxidanyl-octadecanoic acid Openeye Name: (6S,7S)-7-(2-carboxyethylsulfanyl)-6-hydroxy-octadecanoic acid CAS Name: (6S,7S)-7-(2-carboxyethylthio)-6-hydroxyoctadecanoic acid IUPAC Name: (6S,7S)-7-(2-carboxyethylsulfanyl)-6-hydroxyoctadecanoic acid Traditional Name: (6S,7S)-7-(2-carboxyethylthio)-6-hydroxy-stearic acid Formula: C21H40O5S MolecularWeight: 404.6043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C(CCCCC(=O)O)O)SCCC(=O)O

Isomeric SMILES

CCCCCCCCCCC[C@@H]([C@H](CCCCC(=O)O)O)SCCC(=O)O

InChI

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