sodium 11-[33-dodecylsulfanyltritriacontanoyl(ethyl)amino]undecanoate

Systemtic Name: sodium 11-[33-dodecylsulfanyltritriacontanoyl(ethyl)amino]undecanoate Openeye Name: sodium 11-[33-dodecylsulfanyltritriacontanoyl(ethyl)amino]undecanoate CAS Name: sodium 11-[[33-(dodecylthio)-1-oxotritriacontyl]-ethylamino]undecanoate IUPAC Name: sodium 11-[33-dodecylsulfanyltritriacontanoyl(ethyl)amino]undecanoate Traditional Name: sodium 11-[ethyl-[33-(laurylthio)tritriacontanoyl]amino]undecanoate Formula: C58H114NNaO3S MolecularWeight: 928.58543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N(CC)CCCCCCCCCCC(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N(CC)CCCCCCCCCCC(=O)[O-].[Na+]

InChI

InChI=1S/C58H115NO3S.Na/c1-3-5-6-7-8-9-35-40-45-50-55-63-56-51-46-41-36-31-29-27-25-23-21-19-17-15-13-11-10-12-14-16-18-20-22-24-26-28-30-32-37-42-47-52-57(60)59(4-2)54-49-44-39-34-33-38-43-48-53-58(61)62;/h3-56H2,1-2H3,(H,61,62);/q;+1/p-1