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11-(41-dodecylsulfanylhentetracontanoylamino)undecanoic acid

11-(41-dodecylsulfanylhentetracontanoylamino)undecanoic acid

Systemtic Name:11-(41-dodecylsulfanylhentetracontanoylamino)undecanoic acid
Openeye Name:11-(41-dodecylsulfanylhentetracontanoylamino)undecanoic acid
CAS Name:11-[[41-(dodecylthio)-1-oxohentetracontyl]amino]undecanoic acid
IUPAC Name:11-(41-dodecylsulfanylhentetracontanoylamino)undecanoic acid
Traditional Name:11-[41-(laurylthio)hentetracontanoylamino]undecanoic acid
Formula: C64H127NO3S
MolecularWeight: 990.76308
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCCCCCCCCCC(=O)O


Isomeric SMILES

CCCCCCCCCCCCSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCCCCCCCCCC(=O)O


InChI

InChI=1S/C64H127NO3S/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)


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