3-hexadecylsulfanylpropanoic acid; 2-(hydroxymethyl)-2-methyl-3-oxidanyl-propanoate

Systemtic Name: 3-hexadecylsulfanylpropanoic acid; 2-(hydroxymethyl)-2-methyl-3-oxidanyl-propanoate Openeye Name: 3-hexadecylsulfanylpropanoic acid; 3-hydroxy-2-(hydroxymethyl)-2-methyl-propanoate CAS Name: 3-(hexadecylthio)propanoic acid; 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate IUPAC Name: 3-hexadecylsulfanylpropanoic acid; 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate Traditional Name: 3-(cetylthio)propionic acid; 3-hydroxy-2-methyl-2-methylol-propionate Formula: C24H47O6S- MolecularWeight: 463.69138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCCC(=O)O.CC(CO)(CO)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCSCCC(=O)O.CC(CO)(CO)C(=O)[O-]

InChI

InChI=1S/C19H38O2S.C5H10O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-22-18-16-19(20)21;1-5(2-6,3-7)4(8)9/h2-18H2,1H3,(H,20,21);6-7H,2-3H2,1H3,(H,8,9)/p-1