3-(dodecylcarbamothioylsulfanyl)propanoic acid

Systemtic Name: 3-(dodecylcarbamothioylsulfanyl)propanoic acid Openeye Name: 3-(dodecylcarbamothioylsulfanyl)propanoic acid CAS Name: 3-[[(dodecylamino)-sulfanylidenemethyl]thio]propanoic acid IUPAC Name: 3-(dodecylcarbamothioylsulfanyl)propanoic acid Traditional Name: 3-(laurylthiocarbamoylthio)propionic acid Formula: C16H31NO2S2 MolecularWeight: 333.55284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=S)SCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCNC(=S)SCCC(=O)O

InChI

InChI=1S/C16H31NO2S2/c1-2-3-4-5-6-7-8-9-10-11-13-17-16(20)21-14-12-15(18)19/h2-14H2,1H3,(H,17,20)(H,18,19)