Cas no 103900-46-5 (Butanedioic acid,2-sulfo-, 1-dodecyl 4-ethyl ester, sodium salt (1:1))
103900-46-5 structure
Product Name:Butanedioic acid,2-sulfo-, 1-dodecyl 4-ethyl ester, sodium salt (1:1)
CAS No:103900-46-5
MF:C18H33NaO7S
MW:416.505196332932
CID:196151
PubChem ID:23717266
Update Time:2025-04-19
Butanedioic acid,2-sulfo-, 1-dodecyl 4-ethyl ester, sodium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid,2-sulfo-, 1-dodecyl 4-ethyl ester, sodium salt (1:1)
- sodium,1-dodecoxy-4-ethoxy-1,4-dioxobutane-2-sulfonate
- AC1Q1VD0
- ACMC-20d1z8
- AG-J-98494
- AR-1L4315
- Butanedioicacid, sulfo-, 1-dodecyl 4-ethyl ester, sodium salt (9CI)
- CTK4A2499
- sodium 1-(dodecyloxy)-4-ethoxy-1,4-dioxobutane-2-sulfonate
- Sodium 1-dodecoxycarbonyl-2-ethoxycarbonyl-ethanesulfonate
- DTXSID50908663
- Butanedioic acid, sulfo-, 1-dodecyl-4-ethyl ester, sodium salt
- 103900-46-5
-
- Inchi: 1S/C18H34O7S.Na/c1-3-5-6-7-8-9-10-11-12-13-14-25-18(20)16(26(21,22)23)15-17(19)24-4-2;/h16H,3-15H2,1-2H3,(H,21,22,23);/q;+1/p-1
- InChI Key: LEFSVRAJVANTAL-UHFFFAOYSA-M
- SMILES: S(C(CC(=O)OCC)C(=O)OCCCCCCCCCCCC)(=O)(=O)[O-].[Na+]
Computed Properties
- Exact Mass: 416.18459
- Monoisotopic Mass: 416.184
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 27
- Rotatable Bond Count: 18
- Complexity: 488
- 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
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 109.8
Butanedioic acid,2-sulfo-, 1-dodecyl 4-ethyl ester, sodium salt (1:1) Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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