sodium 11-(41-dodecylsulfanylhentetracontanoylamino)undecanoate

Systemtic Name: sodium 11-(41-dodecylsulfanylhentetracontanoylamino)undecanoate Openeye Name: sodium 11-(41-dodecylsulfanylhentetracontanoylamino)undecanoate CAS Name: sodium 11-[[41-(dodecylthio)-1-oxohentetracontyl]amino]undecanoate IUPAC Name: sodium 11-(41-dodecylsulfanylhentetracontanoylamino)undecanoate Traditional Name: sodium 11-[41-(laurylthio)hentetracontanoylamino]undecanoate Formula: C64H126NNaO3S MolecularWeight: 1012.74491

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCCCCCCCCCC(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCCCCCCCCCC(=O)[O-].[Na+]

InChI

InChI=1S/C64H127NO3S.Na/c1-2-3-4-5-6-7-41-46-51-56-61-69-62-57-52-47-42-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-43-48-53-58-63(66)65-60-55-50-45-40-39-44-49-54-59-64(67)68;/h2-62H2,1H3,(H,65,66)(H,67,68);/q;+1/p-1