2-(2-carboxyethylsulfanylmethyl)-2-octyl-decanoic acid

Systemtic Name: 2-(2-carboxyethylsulfanylmethyl)-2-octyl-decanoic acid Openeye Name: 2-(2-carboxyethylsulfanylmethyl)-2-octyl-decanoic acid CAS Name: 2-[(2-carboxyethylthio)methyl]-2-octyldecanoic acid IUPAC Name: 2-(2-carboxyethylsulfanylmethyl)-2-octyldecanoic acid Traditional Name: 2-[(2-carboxyethylthio)methyl]-2-octyl-capric acid Formula: C22H42O4S MolecularWeight: 402.63148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCCC)(CSCCC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCC(CCCCCCCC)(CSCCC(=O)O)C(=O)O

InChI

InChI=1S/C22H42O4S/c1-3-5-7-9-11-13-16-22(21(25)26,19-27-18-15-20(23)24)17-14-12-10-8-6-4-2/h3-19H2,1-2H3,(H,23,24)(H,25,26)