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13419-59-5

Basic Information
CAS No.: 13419-59-5
Name: trisodium sulphonatosuccinate
Molecular Structure:
Molecular Structure of 13419-59-5 (trisodium sulphonatosuccinate)
Formula: C4H3Na3O7S
Molecular Weight: 264.09673
Synonyms: Butanedioicacid, sulfo-, trisodium salt (9CI);Succinic acid, sulfo-, trisodium salt(6CI,8CI);Sulfosuccinic acid trisodium salt;Trisodium sulfosuccinate;
EINECS: 236-524-3
PSA: 145.84000
LogP: -3.12910
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    trisodium sulphonatosuccinate CAS 13419-59-5

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    Trisodium sulfonatosuccinate

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  • Butanedioic acid,2-sulfo-, sodium salt (1:3)

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    13419-59-5

    Butanedioic acid,2-sulfo-, sodium salt (1:3)

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  • CSR1608-2337

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Specification

The Butanedioic acid,2-sulfo-, sodium salt (1:3), with the CAS registry number 13419-59-5, is also known as Trisodium sulfosuccinate. Its molecular formula is C4H3Na3O7S and its molecular weight is 264.09673. Additionally, its IUPAC name is trisodium 2-sulfonatobutanedioate.

Other characteristics of the Butanedioic acid,2-sulfo-, sodium salt (1:3) can be summarised as followings: (1)ACD/LogP: -1.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -6.96; (4)ACD/LogD (pH 7.4): -7.62; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 137.35 Å2.

You can still convert the following datas into molecular structure:  
1.SMILES: [Na+].[Na+].[Na+].[O-]S(=O)(=O)C(C(=O)[O-])CC([O-])=O
2.InChI: InChI=1/C4H6O7S.3Na/c5-3(6)1-2(4(7)8)12(9,10)11;;;/h2H,1H2,(H,5,6)(H,7,8)(H,9,10,11);;;/q;3*+1/p-3
3.InChIKey: ZXGOACRTCPRVON-DFZHHIFOAT