2-(2-carboxyethylsulfanylmethyl)-4-ethyl-2-(2-ethylhexyl)octanoic acid

Systemtic Name: 2-(2-carboxyethylsulfanylmethyl)-4-ethyl-2-(2-ethylhexyl)octanoic acid Openeye Name: 2-(2-carboxyethylsulfanylmethyl)-4-ethyl-2-(2-ethylhexyl)octanoic acid CAS Name: 2-[(2-carboxyethylthio)methyl]-4-ethyl-2-(2-ethylhexyl)octanoic acid IUPAC Name: 2-(2-carboxyethylsulfanylmethyl)-4-ethyl-2-(2-ethylhexyl)octanoic acid Traditional Name: 2-[(2-carboxyethylthio)methyl]-4-ethyl-2-(2-ethylhexyl)caprylic acid Formula: C22H42O4S MolecularWeight: 402.63148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(CC(CC)CCCC)(CSCCC(=O)O)C(=O)O

Isomeric SMILES

CCCCC(CC)CC(CC(CC)CCCC)(CSCCC(=O)O)C(=O)O

InChI

InChI=1S/C22H42O4S/c1-5-9-11-18(7-3)15-22(21(25)26,17-27-14-13-20(23)24)16-19(8-4)12-10-6-2/h18-19H,5-17H2,1-4H3,(H,23,24)(H,25,26)