2-(ethanoylsulfanylmethyl)-3-hexadecylsulfanyl-propanoic acid

Systemtic Name: 2-(ethanoylsulfanylmethyl)-3-hexadecylsulfanyl-propanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-hexadecylsulfanyl-propanoic acid CAS Name: 2-[(acetylthio)methyl]-3-(hexadecylthio)propanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-hexadecylsulfanylpropanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-(cetylthio)propionic acid Formula: C22H42O3S2 MolecularWeight: 418.69708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(CSC(=O)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(CSC(=O)C)C(=O)O

InChI

InChI=1S/C22H42O3S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-18-21(22(24)25)19-27-20(2)23/h21H,3-19H2,1-2H3,(H,24,25)