sodium 11-[23-dodecylsulfanyltricosanoyl(ethyl)amino]undecanoate

Systemtic Name: sodium 11-[23-dodecylsulfanyltricosanoyl(ethyl)amino]undecanoate Openeye Name: sodium 11-[23-dodecylsulfanyltricosanoyl(ethyl)amino]undecanoate CAS Name: sodium 11-[[23-(dodecylthio)-1-oxotricosyl]-ethylamino]undecanoate IUPAC Name: sodium 11-[23-dodecylsulfanyltricosanoyl(ethyl)amino]undecanoate Traditional Name: sodium 11-[ethyl-[23-(laurylthio)tricosanoyl]amino]undecanoate Formula: C48H94NNaO3S MolecularWeight: 788.31963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C48H95NO3S.Na/c1-3-5-6-7-8-9-25-30-35-40-45-53-46-41-36-31-26-21-19-17-15-13-11-10-12-14-16-18-20-22-27-32-37-42-47(50)49(4-2)44-39-34-29-24-23-28-33-38-43-48(51)52;/h3-46H2,1-2H3,(H,51,52);/q;+1/p-1