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30260-72-1

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Basic Information
CAS No.: 30260-72-1
Name: 3-(2-dodecylphenoxy)benzene-1,2-disulfonic acid
Molecular Structure:
Molecular Structure of 30260-72-1 (3-(2-dodecylphenoxy)benzene-1,2-disulfonic acid)
Formula: C24H34O7S2
Molecular Weight: 498.6526
Synonyms: Dodecyl(sulfophenoxy)benzenesulfonicacid;Dodecyldisulfodiphenyl ether;
Density: 1.236 g/cm3
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Specification

The CAS registry number of Benzenesulfonicacid, dodecyl(sulfophenoxy)- is 30260-72-1. This chemical is also named as 1,2-Benzenedisulfonic acid, 3-(2-dodecylphenoxy)-. In addition, its molecular formula is C24H34O7S2 and molecular weight is 498.6526. Its systematic name is called 3-(2-dodecylphenoxy)benzene-1,2-disulfonic acid.

Physical properties about Benzenesulfonicacid, dodecyl(sulfophenoxy)- are: (1)ACD/LogP: 4.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 120; (6)ACD/BCF (pH 7.4): 120; (7)ACD/KOC (pH 5.5): 56; (8)ACD/KOC (pH 7.4): 56; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 15; (12)Index of Refraction: 1.555; (13)Molar Refractivity: 129.465 cm3; (14)Molar Volume: 403.458 cm3; (15)Surface Tension: 48.855 dyne/cm; (16)Density: 1.236 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c2c(c(Oc1ccccc1CCCCCCCCCCCC)ccc2)S(=O)(=O)O
(2)InChI: InChI=1/C24H34O7S2/c1-2-3-4-5-6-7-8-9-10-11-15-20-16-12-13-17-21(20)31-22-18-14-19-23(32(25,26)27)24(22)33(28,29)30/h12-14,16-19H,2-11,15H2,1H3,(H,25,26,27)(H,28,29,30)
(3)InChIKey: JYFRLOKRXMUEOS-UHFFFAOYAN