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| CAS No.: | 94247-81-1 |
|---|---|
| Name: | sodium tetracosylbenzenesulphonate |
| Molecular Structure: | |
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| Formula: | C30H54NaO3S |
| Molecular Weight: | 516.79 |
| Synonyms: | Benzenesulfonicacid, tetracosyl-, sodium salt (9CI);Sodium tetracosylbenzenesulphonate;Sodium 2-tetracosylbenzenesulfonate; |
| EINECS: | 304-252-5 |
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Specification
The Benzenesulfonic acid,tetracosyl-, sodium salt (1:1), with the CAS registry number 94247-81-1, is also known as Sodium tetracosylbenzenesulphonate. Its EINECS number is 304-252-5. This chemical's molecular formula is C30H54NaO3S and molecular weight is 516.79. What's more, its systematic name is Sodium 2-tetracosylbenzenesulfonate.
Physical properties of Benzenesulfonic acid,tetracosyl-, sodium salt (1:1) are: (1)ACD/LogP: 13.15; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.65; (4)ACD/LogD (pH 7.4): 9.65; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 107759; (8)ACD/KOC (pH 7.4): 107445.21; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 24; (12)Polar Surface Area: 62.75 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[O-]S(=O)(=O)c1ccccc1CCCCCCCCCCCCCCCCCCCCCCCC
(2)InChI: InChI=1S/C30H54O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-29-27-24-25-28-30(29)34(31,32)33;/h24-25,27-28H,2-23,26H2,1H3,(H,31,32,33);/q;+1/p-1
(3)InChIKey: MPIBCHJSJHJLRX-UHFFFAOYSA-M