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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