Vaccine Lab / Alfa Chemistry
Benzenesulfonic acid, dodecyl-, ammonium salt (1:1)

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Benzenesulfonic acid, dodecyl-, ammonium salt (1:1)

Catalog Number ACM1331619-2
CAS 1331-61-9
Structure
Synonyms Ammonium dodecylbenzenesulphonate
IUPAC Name Azanium;2-dodecylbenzenesulfonate
Molecular Weight 343.5
Molecular Formula C18H33NO3S
Canonical SMILES CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[NH4+]
InChI InChI=1S/C18H30O3S.H3N/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);1H3
InChI Key ZLWPAELISNYYGM-UHFFFAOYSA-N
Complexity 346
Covalently-Bonded Unit Count 2
Defined Atom Stereocenter Count 0
Exact Mass 343.21811509
Heavy Atom Count 23
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
Monoisotopic Mass 343.21811509
Rotatable Bond Count 11
Topological Polar Surface Area 66.6 Ų
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