3-dodecylsulfanylpropanoic acid; 2-(hydroxymethyl)-2-(sulfanylmethyl)propane-1,3-diol

Systemtic Name: 3-dodecylsulfanylpropanoic acid; 2-(hydroxymethyl)-2-(sulfanylmethyl)propane-1,3-diol Openeye Name: 3-dodecylsulfanylpropanoic acid; 2-(hydroxymethyl)-2-(sulfanylmethyl)propane-1,3-diol CAS Name: 3-(dodecylthio)propanoic acid; 2-(hydroxymethyl)-2-(mercaptomethyl)propane-1,3-diol IUPAC Name: 3-dodecylsulfanylpropanoic acid; 2-(hydroxymethyl)-2-(sulfanylmethyl)propane-1,3-diol Traditional Name: 3-(laurylthio)propionic acid; 2-(mercaptomethyl)-2-methylol-propane-1,3-diol Formula: C65H132O11S5 MolecularWeight: 1250.06198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCCC(=O)O.CCCCCCCCCCCCSCCC(=O)O.CCCCCCCCCCCCSCCC(=O)O.CCCCCCCCCCCCSCCC(=O)O.C(C(CO)(CO)CS)O

Isomeric SMILES

CCCCCCCCCCCCSCCC(=O)O.CCCCCCCCCCCCSCCC(=O)O.CCCCCCCCCCCCSCCC(=O)O.CCCCCCCCCCCCSCCC(=O)O.C(C(CO)(CO)CS)O

InChI

InChI=1S/4C15H30O2S.C5H12O3S/c4*1-2-3-4-5-6-7-8-9-10-11-13-18-14-12-15(16)17;6-1-5(2-7,3-8)4-9/h4*2-14H2,1H3,(H,16,17);6-9H,1-4H2