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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H40O5S/c1-2-3-4-5-6-7-8-9-10-13-18(22)19(27-17-16-21(25)26)14-11-12-15-20(23)24/h18-19,22H,2-17H2,1H3,(H,23,24)(H,25,26)/t18-,19+/m1/s1