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Disodium 4-dodecyl-2,4'-oxydibenzenesulfonate

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Name

Disodium 4-dodecyl-2,4'-oxydibenzenesulfonate

EINECS N/A
CAS No. 7575-62-4 Density N/A
PSA 140.39000 LogP 7.91210
Solubility N/A Melting Point N/A
Formula C24H32Na2O7S2 Boiling Point N/A
Molecular Weight 542.61 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 7575-62-4 (Disodium 4-dodecyl-2,4'-oxydibenzenesulfonate) Hazard Symbols N/A
Synonyms

Benzenesulfonicacid, 4-dodecyl-2,4'-oxydi-, disodium salt (7CI,8CI);Benzenesulfonic acid,4-dodecyl-2-(4-sulfophenoxy)-, disodium salt (9CI);Disodium4-dodecyl-2,4'-oxydibenzenesulfonate;

 

Disodium 4-dodecyl-2,4'-oxydibenzenesulfonate Specification

The Disodium 4-dodecyl-2,4'-oxydibenzenesulfonate, with the CAS registry number 7575-62-4, is also known as 4-Dodecyl-2-(4-sulfophenoxy)-benzenesulfonic acid disodium salt and Dodecyl diphenyl ether sodium disulfonate. This chemical's molecular formula is C24H32Na2O7S2 and molecular weight is 542.62. What's more, both IUPAC name and systematic name of Disodium 4-dodecyl-2,4'-oxydibenzenesulfonate are the same which is called Disodium 4-dodecyl-2-(4-sulfonatophenoxy benzenesulfonate.

Physical properties about Disodium 4-dodecyl-2,4'-oxydibenzenesulfonate are: (1) ACD/LogP: 7.62; (2) # of Rule of 5 Violations: 1; (3) ACD/LogD (pH 5.5): 3.12; (4) ACD/LogD (pH 7.4): 3.12; (5) ACD/BCF (pH 5.5): 11.54; (6) ACD/BCF (pH 7.4): 11.54; (7) ACD/KOC (pH 5.5): 10.54; (8) ACD/KOC (pH 7.4): 10.54; (9) #H bond acceptors: 7; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 15; (12) Polar Surface Area: 134.73 Å2.

You can still convert the following datas into molecular structure:
(1) SMILES: CCCCCCCCCCCCC1=CC(=C(C=C1)S(=O)(=O)[O-])OC2=CC=C(C=C2)S(=O)(=O)[O-].[Na+].[Na+]
(2) InChI: InChI=1S/C24H34O7S2.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-20-13-18-24(33(28,29)30)23(19-20)31-21-14-16-22(17-15-21)32(25,26)27;;/h13-19H,2-12H2,1H3,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2
(3) InChIKey: MORMPWNLQJTSOT-UHFFFAOYSA-L

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