4-Dodecylbenzenesulfonic acid

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Systematic / IUPAC Name: 4-Dodecylbenzenesulfonic acid

ID: Reference1484

Other Names: p-Dodecylbenzenesulfonic acid;
p-Dodecylbenzenesulphonic acid;
4-Dodecylbenzenesulphonic acid;
Benzenesulfonic acid, 4-dodecyl-

Formula: C18H30O3S

Class: Extractables/Leachables Personal Care Products/Cosmetics Industrial Chemicals

Spectral Data

4-Dodecylbenzenesulfonic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 190
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/28/2018 10:33:07 AM
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Identificators

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)
InChI Key KWXICGTUELOLSQ-UHFFFAOYSA-N
Canonical SMILES CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O
CAS 27176870
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Other Names p-Dodecylbenzenesulfonic acid;
p-Dodecylbenzenesulphonic acid;
4-Dodecylbenzenesulphonic acid;
Benzenesulfonic acid, 4-dodecyl-

In Other Databases

PubChem 8485
ChemSpider 8172
Wikipedia Sodium dodecylbenzenesulfonate
ChemIDPlus 000121653; 002211985; 011067826; 014564740; 063589435; 047236102; 064845358; 085938518
HMDb HMDB59915
ChEMBL CHEMBL2219674