4-dodecylbenzenesulfonic acid (CHEBI:149776)

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ChEBI Name	4-dodecylbenzenesulfonic acid

ChEBI ID	CHEBI:149776

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Mark Williams

Supplier Information

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Formula

C18H30O3S

Net Charge

Average Mass

326.500

Monoisotopic Mass

326.19157

InChI

InChI=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)

InChIKey

KWXICGTUELOLSQ-UHFFFAOYSA-N

SMILES

S(C1=CC=C(CCCCCCCCCCCC)C=C1)(O)(=O)=O

Roles Classification
Chemical Role(s):	detergent A surfactant (or a mixture containing one or more surfactants) having cleaning properties in dilute solutions. (via dodecylbenzenesulfonic acid )

Application(s):	detergent A surfactant (or a mixture containing one or more surfactants) having cleaning properties in dilute solutions. (via dodecylbenzenesulfonic acid )

ChEBI Ontology
Outgoing	4-dodecylbenzenesulfonic acid (CHEBI:149776) is a dodecylbenzenesulfonic acid (CHEBI:149773)

IUPAC Name

4-dodecylbenzenesulfonic acid

Synonyms	Sources
4-dodecylbenzene-1-sulfonic acid	IUPAC
p-dodecylbenzenesulfonic acid	ChemIDplus
p-dodecylbenzenesulphonic acid	ChemIDplus

Last Modified

12 June 2020