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CHEBI:39877 - 3-(N,N-DIMETHYLOCTYLAMMONIO)PROPANESULFONATE

Default Structure
ChEBI IDCHEBI:39877
ChEBI Name3-(N,N-DIMETHYLOCTYLAMMONIO)PROPANESULFONATE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC13H29NO3S
Net Charge0
Average Mass279.446
Monoisotopic Mass279.18681
SMILES[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])S(=O)(=O)[O-]
InChIInChI=1S/C13H29NO3S/c1-4-5-6-7-8-9-11-14(2,3)12-10-13-18(15,16)17/h4-13H2,1-3H3
InChIKeyQZRAABPTWGFNIU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(N,N-DIMETHYLOCTYLAMMONIO)PROPANESULFONATE (CHEBI:39877) is a unclassifieds (CHEBI:27189)
Synonyms  Source
3-[dimethyl(octyl)ammonio]propane-1-sulfonatePDBeChem
3-(N,N-DIMETHYLOCTYLAMMONIO)PROPANESULFONATEPDBeChem
Manual XrefsDatabases
3DPPDBeChem