Benzenesulfonic acid,4-dodecyl-2-(4-sulfophenoxy)-, sodium salt (1:2) (7575-62-4)

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