sodium 11-[81-dodecylsulfanylhenoctacontanoyl(ethyl)amino]undecanoate

Systemtic Name: sodium 11-[81-dodecylsulfanylhenoctacontanoyl(ethyl)amino]undecanoate Openeye Name: sodium 11-[81-dodecylsulfanylhenoctacontanoyl(ethyl)amino]undecanoate CAS Name: sodium 11-[[81-(dodecylthio)-1-oxohenoctacontyl]-ethylamino]undecanoate IUPAC Name: sodium 11-[81-dodecylsulfanylhenoctacontanoyl(ethyl)amino]undecanoate Traditional Name: sodium 11-[ethyl-[81-(laurylthio)henoctacontanoyl]amino]undecanoate Formula: C106H210NNaO3S MolecularWeight: 1601.86127

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C106H211NO3S.Na/c1-3-5-6-7-8-9-83-88-93-98-103-111-104-99-94-89-84-79-77-75-73-71-69-67-65-63-61-59-57-55-53-51-49-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48-50-52-54-56-58-60-62-64-66-68-70-72-74-76-78-80-85-90-95-100-105(108)107(4-2)102-97-92-87-82-81-86-91-96-101-106(109)110;/h3-104H2,1-2H3,(H,109,110);/q;+1/p-1