Cas no 29857-13-4 (Butanedioic acid,2-sulfo-, 1,4-diisodecyl ester, sodium salt (1:1))
29857-13-4 structure
Product Name:Butanedioic acid,2-sulfo-, 1,4-diisodecyl ester, sodium salt (1:1)
CAS No:29857-13-4
MF:C24H45NaO7S
MW:500.66467833519
CID:254688
PubChem ID:23688938
Update Time:2025-04-19
Butanedioic acid,2-sulfo-, 1,4-diisodecyl ester, sodium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid,2-sulfo-, 1,4-diisodecyl ester, sodium salt (1:1)
- sodium,1,4-bis(8-methylnonoxy)-1,4-dioxobutane-2-sulfonate
- [3-(8-methylnonoxy)-1-(8-methylnonoxycarbonyl)-3-oxo-propyl]sulfonyloxysodium
- Butanedioic acid, sulfo-, 1,4-diisodecyl ester, sodium salt
- Diisodecyl sulfosuccinate, sodium salt
- sodium 1,4-bis[(8-methylnonyl)oxy]-1,4-dioxobutane-2-sulfonate
- Sodium 1,4-diisodecyl sulphonatosuccinate
- Butanedioic acid, 2-sulfo-, 1,4-diisodecyl ester, sodium salt
- DTXSID50904367
- EINECS 249-894-6
- 29857-13-4
- Sodium 1,4-diisodecyl sulfonatosuccinate
- SCHEMBL6008566
- sodium;1,4-bis(8-methylnonoxy)-1,4-dioxobutane-2-sulfonate
- Butanedioic acid, 2-sulfo-, 1,4-diisodecyl ester, sodium salt (1:1)
- NS00078271
- W-110767
- Sulphosuccinic acid, diisodecyl ester, sodium salt
- EC 249-894-6
-
- Inchi： 1S/C24H46O7S.Na/c1-20(2)15-11-7-5-9-13-17-30-23(25)19-22(32(27,28)29)24(26)31-18-14-10-6-8-12-16-21(3)4;/h20-22H,5-19H2,1-4H3,(H,27,28,29);/q;+1/p-1
- InChI Key： XXIOSJPZBMCGGL-UHFFFAOYSA-M
- SMILES： S(C(C(=O)OCCCCCCCC(C)C)CC(=O)OCCCCCCCC(C)C)(=O)(=O)[O-].[Na+]
Computed Properties
- Exact Mass: 500.27855
- Monoisotopic Mass: 500.278
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 33
- Rotatable Bond Count: 22
- Complexity: 600
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 118A^2
Experimental Properties
- PSA: 109.8
Butanedioic acid,2-sulfo-, 1,4-diisodecyl ester, sodium salt (1:1) Related Literature
-
Steven T. J. Droge,Peter Scherpenisse,Jon A. Arnot,James M. Armitage,Michael S. McLachlan,Peter C. von der Ohe,Geoff Hodges Environ. Sci.: Processes Impacts 2021 23 1930
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