6-(2-carboxyethylsulfanyl)octadecanoic acid

Systemtic Name: 6-(2-carboxyethylsulfanyl)octadecanoic acid Openeye Name: 6-(2-carboxyethylsulfanyl)octadecanoic acid CAS Name: 6-(2-carboxyethylthio)octadecanoic acid IUPAC Name: 6-(2-carboxyethylsulfanyl)octadecanoic acid Traditional Name: 6-(2-carboxyethylthio)stearic acid Formula: C21H40O4S MolecularWeight: 388.6049

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCCCC(=O)O)SCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCC(CCCCC(=O)O)SCCC(=O)O

InChI

InChI=1S/C21H40O4S/c1-2-3-4-5-6-7-8-9-10-11-14-19(26-18-17-21(24)25)15-12-13-16-20(22)23/h19H,2-18H2,1H3,(H,22,23)(H,24,25)