6-(2-carboxyethylsulfanyl)icosanoic acid

Systemtic Name: 6-(2-carboxyethylsulfanyl)icosanoic acid Openeye Name: 6-(2-carboxyethylsulfanyl)icosanoic acid CAS Name: 6-(2-carboxyethylthio)eicosanoic acid IUPAC Name: 6-(2-carboxyethylsulfanyl)icosanoic acid Traditional Name: 6-(2-carboxyethylthio)arachidic acid Formula: C23H44O4S MolecularWeight: 416.65806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CCCCC(=O)O)SCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCC(CCCCC(=O)O)SCCC(=O)O

InChI

InChI=1S/C23H44O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(28-20-19-23(26)27)17-14-15-18-22(24)25/h21H,2-20H2,1H3,(H,24,25)(H,26,27)