11-[33-dodecylsulfanyltritriacontanoyl(ethyl)amino]undecanoic acid

Systemtic Name: 11-[33-dodecylsulfanyltritriacontanoyl(ethyl)amino]undecanoic acid Openeye Name: 11-[33-dodecylsulfanyltritriacontanoyl(ethyl)amino]undecanoic acid CAS Name: 11-[[33-(dodecylthio)-1-oxotritriacontyl]-ethylamino]undecanoic acid IUPAC Name: 11-[33-dodecylsulfanyltritriacontanoyl(ethyl)amino]undecanoic acid Traditional Name: 11-[ethyl-[33-(laurylthio)tritriacontanoyl]amino]undecanoic acid Formula: C58H115NO3S MolecularWeight: 906.6036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N(CC)CCCCCCCCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N(CC)CCCCCCCCCCC(=O)O

InChI

InChI=1S/C58H115NO3S/c1-3-5-6-7-8-9-35-40-45-50-55-63-56-51-46-41-36-31-29-27-25-23-21-19-17-15-13-11-10-12-14-16-18-20-22-24-26-28-30-32-37-42-47-52-57(60)59(4-2)54-49-44-39-34-33-38-43-48-53-58(61)62/h3-56H2,1-2H3,(H,61,62)