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CHEBI:149775 - 3-dodecylbenzenesulfonic acid

ChEBI IDCHEBI:149775
ChEBI Name3-dodecylbenzenesulfonic acid
Stars
DefinitionA member of the class dodecylbenzenesulfonic acids that is benzenesulfonic acid in which the hydrogen at position 3 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
SMILESCCCCCCCCCCCCc1cccc(S(=O)(=O)O)c1
InChIInChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-15-18(16-17)22(19,20)21/h12,14-16H,2-11,13H2,1H3,(H,19,20,21)
InChIKeyHRPQWSOMACYCRG-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)
3-dodecylbenzenesulfonic acid (CHEBI:149775) is a dodecylbenzenesulfonic acid (CHEBI:149773)
IUPAC Name 
3-dodecylbenzenesulfonic acid
Synonyms  Source
3-dodecylbenzene-1-sulfonic acidIUPAC
m-dodecylbenzenesulfonic acidChEBI
Registry NumbersSources
CAS:16577-13-2ChEBI