11-[81-dodecylsulfanylhenoctacontanoyl(ethyl)amino]undecanoic acid

Systemtic Name: 11-[81-dodecylsulfanylhenoctacontanoyl(ethyl)amino]undecanoic acid Openeye Name: 11-[81-dodecylsulfanylhenoctacontanoyl(ethyl)amino]undecanoic acid CAS Name: 11-[[81-(dodecylthio)-1-oxohenoctacontyl]-ethylamino]undecanoic acid IUPAC Name: 11-[81-dodecylsulfanylhenoctacontanoyl(ethyl)amino]undecanoic acid Traditional Name: 11-[ethyl-[81-(laurylthio)henoctacontanoyl]amino]undecanoic acid Formula: C106H211NO3S MolecularWeight: 1579.87944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N(CC)CCCCCCCCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N(CC)CCCCCCCCCCC(=O)O

InChI

InChI=1S/C106H211NO3S/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)