[2-(hydroxymethyl)-2-methyl-3-(2-sulfanylethanoyloxy)propyl] octanoate

Systemtic Name: [2-(hydroxymethyl)-2-methyl-3-(2-sulfanylethanoyloxy)propyl] octanoate Openeye Name: [2-(hydroxymethyl)-2-methyl-3-(2-sulfanylacetyl)oxy-propyl] octanoate CAS Name: octanoic acid [2-(hydroxymethyl)-3-(2-mercapto-1-oxoethoxy)-2-methylpropyl] ester IUPAC Name: [2-(hydroxymethyl)-2-methyl-3-(2-sulfanylacetyl)oxypropyl] octanoate Traditional Name: caprylic acid [3-hydroxy-2-[(2-mercaptoacetyl)oxymethyl]-2-methyl-propyl] ester Formula: C15H28O5S MolecularWeight: 320.44482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC(C)(CO)COC(=O)CS

Isomeric SMILES

CCCCCCCC(=O)OCC(C)(CO)COC(=O)CS

InChI

InChI=1S/C15H28O5S/c1-3-4-5-6-7-8-13(17)19-11-15(2,10-16)12-20-14(18)9-21/h16,21H,3-12H2,1-2H3