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CHEBI:149776 - 4-dodecylbenzenesulfonic acid

ChEBI IDCHEBI:149776
ChEBI Name4-dodecylbenzenesulfonic acid
Stars
DefinitionA member of the class dodecylbenzenesulfonic acids that is benzenesulfonic acid in which the hydrogen at position 4 of the phenyl ring is substituted by a dodecyl group.
Last Modified12 June 2020
Submittermwilliams
DownloadsMolfile
FormulaC18H30O3S
Net Charge0
Average Mass326.502
Monoisotopic Mass326.19157
SMILESCCCCCCCCCCCCc1ccc(S(=O)(=O)O)cc1
InChIInChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)
InChIKeyKWXICGTUELOLSQ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
detergent  A surfactant (or a mixture containing one or more surfactants) having cleaning properties in dilute solutions.
Application:
detergent  A surfactant (or a mixture containing one or more surfactants) having cleaning properties in dilute solutions.
ChEBI Ontology
Outgoing Relation(s)
4-dodecylbenzenesulfonic acid (CHEBI:149776) is a dodecylbenzenesulfonic acid (CHEBI:149773)
IUPAC Name 
4-dodecylbenzenesulfonic acid
Synonyms  Source
4-dodecylbenzene-1-sulfonic acidIUPAC
p-dodecylbenzenesulfonic acidChemIDplus
p-dodecylbenzenesulphonic acidChemIDplus
Manual XrefsDatabases
HMDB0059915HMDB
Registry NumbersSources
Reaxys:2217653Reaxys
CAS:121-65-3ChemIDplus
Citations