sodium 11-[27-dodecylsulfanylheptacosanoyl(methyl)amino]undecanoate

Systemtic Name: sodium 11-[27-dodecylsulfanylheptacosanoyl(methyl)amino]undecanoate Openeye Name: sodium 11-[27-dodecylsulfanylheptacosanoyl(methyl)amino]undecanoate CAS Name: sodium 11-[[27-(dodecylthio)-1-oxoheptacosyl]-methylamino]undecanoate IUPAC Name: sodium 11-[27-dodecylsulfanylheptacosanoyl(methyl)amino]undecanoate Traditional Name: sodium 11-[27-(laurylthio)heptacosanoyl-methyl-amino]undecanoate Formula: C51H100NNaO3S MolecularWeight: 830.39937

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C51H101NO3S.Na/c1-3-4-5-6-7-8-28-33-38-43-48-56-49-44-39-34-29-24-22-20-18-16-14-12-10-9-11-13-15-17-19-21-23-25-30-35-40-45-50(53)52(2)47-42-37-32-27-26-31-36-41-46-51(54)55;/h3-49H2,1-2H3,(H,54,55);/q;+1/p-1