Cas no 28855-17-6 (Benzenesulfonic acid,octadecyl-)
28855-17-6 structure
Product Name:Benzenesulfonic acid,octadecyl-
CAS No:28855-17-6
MF:C24H42O3S
MW:410.653486728668
CID:265291
PubChem ID:3015434
Update Time:2025-04-19
Benzenesulfonic acid,octadecyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonic acid,octadecyl-
- 2-octadecylbenzenesulfonic acid
- Octadecylbenzenesulphonic acid
- NS00002033
- 2-Octadecyl benzenesulfonic acid
- Benzenesulfonic acid, 2-octadecyl-
- EINECS 249-268-2
- 79840-55-4
- Benzenesulfonic acid, octadecenyl-
- EC 249-268-2
- 28855-17-6
- EINECS 298-607-0
- SCHEMBL158973
- OCTADECYLBENZENESULFONIC ACID
- W-109206
- 93820-24-7
- DTXSID20880068
-
- Inchi： 1S/C24H42O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22-24(23)28(25,26)27/h18-19,21-22H,2-17,20H2,1H3,(H,25,26,27)
- InChI Key： AQQPJNOXVZFTGE-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1CCCCCCCCCCCCCCCCCC)(=O)(=O)O
Computed Properties
- Exact Mass: 410.28566
- Monoisotopic Mass: 410.285466
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 28
- Rotatable Bond Count: 18
- Complexity: 441
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 62.8
- XLogP3: 10.1
Experimental Properties
- Density: 1.003
- Refractive Index: 1.5
- PSA: 54.37
Benzenesulfonic acid,octadecyl- Related Literature
-
José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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