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1-(11-decylsulfanylundecyl)-2-ethyl-pyrazol-1-ium bromide

1-(11-decylsulfanylundecyl)-2-ethyl-pyrazol-1-ium bromide

Systemtic Name:1-(11-decylsulfanylundecyl)-2-ethyl-pyrazol-1-ium bromide
Openeye Name:1-(11-decylsulfanylundecyl)-2-ethyl-pyrazol-1-ium bromide
CAS Name:1-[11-(decylthio)undecyl]-2-ethylpyrazol-1-ium bromide
IUPAC Name:1-(11-decylsulfanylundecyl)-2-ethylpyrazol-1-ium bromide
Traditional Name:1-[11-(decylthio)undecyl]-2-ethyl-pyrazol-1-ium bromide
Formula: C26H51BrN2S
MolecularWeight: 503.66554
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSCCCCCCCCCCC[N+]1=CC=CN1CC.[Br-]


Isomeric SMILES

CCCCCCCCCCSCCCCCCCCCCC[N+]1=CC=CN1CC.[Br-]


InChI

InChI=1S/C26H51N2S.BrH/c1-3-5-6-7-8-13-16-19-25-29-26-20-17-14-11-9-10-12-15-18-22-28-24-21-23-27(28)4-2;/h21,23-24H,3-20,22,25-26H2,1-2H3;1H/q+1;/p-1


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