[2-(hydroxymethyl)-2-methyl-4-oxidanyl-butyl] 3-dodecylsulfanyl-2-methyl-propanoate

Systemtic Name: [2-(hydroxymethyl)-2-methyl-4-oxidanyl-butyl] 3-dodecylsulfanyl-2-methyl-propanoate Openeye Name: [4-hydroxy-2-(hydroxymethyl)-2-methyl-butyl] 3-dodecylsulfanyl-2-methyl-propanoate CAS Name: 3-(dodecylthio)-2-methylpropanoic acid [4-hydroxy-2-(hydroxymethyl)-2-methylbutyl] ester IUPAC Name: [4-hydroxy-2-(hydroxymethyl)-2-methylbutyl] 3-dodecylsulfanyl-2-methylpropanoate Traditional Name: 3-(laurylthio)-2-methyl-propionic acid (4-hydroxy-2-methyl-2-methylol-butyl) ester Formula: C22H44O4S MolecularWeight: 404.64736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCC(C)C(=O)OCC(C)(CCO)CO

Isomeric SMILES

CCCCCCCCCCCCSCC(C)C(=O)OCC(C)(CCO)CO

InChI

InChI=1S/C22H44O4S/c1-4-5-6-7-8-9-10-11-12-13-16-27-17-20(2)21(25)26-19-22(3,18-24)14-15-23/h20,23-24H,4-19H2,1-3H3