sodium 11-[41-dodecylsulfanylhentetracontanoyl(methyl)amino]undecanoate

Systemtic Name: sodium 11-[41-dodecylsulfanylhentetracontanoyl(methyl)amino]undecanoate Openeye Name: sodium 11-[41-dodecylsulfanylhentetracontanoyl(methyl)amino]undecanoate CAS Name: sodium 11-[[41-(dodecylthio)-1-oxohentetracontyl]-methylamino]undecanoate IUPAC Name: sodium 11-[41-dodecylsulfanylhentetracontanoyl(methyl)amino]undecanoate Traditional Name: sodium 11-[41-(laurylthio)hentetracontanoyl-methyl-amino]undecanoate Formula: C65H128NNaO3S MolecularWeight: 1026.77149

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N(C)CCCCCCCCCCC(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N(C)CCCCCCCCCCC(=O)[O-].[Na+]

InChI

InChI=1S/C65H129NO3S.Na/c1-3-4-5-6-7-8-42-47-52-57-62-70-63-58-53-48-43-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-44-49-54-59-64(67)66(2)61-56-51-46-41-40-45-50-55-60-65(68)69;/h3-63H2,1-2H3,(H,68,69);/q;+1/p-1