This chemical is called Butanedioic acid, 4-(octadecylamino)-4-oxo-2-sulfo-, disodium salt, and its CAS registry number is 14481-60-8. With the molecular formula of C22H43NO6S.2Na, its molecular weight is 493.60.
Other characteristics of the Butanedioic acid, 4-(octadecylamino)-4-oxo-2-sulfo- can be summarised as followings: (1)ACD/LogP: 6.48; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.93; (4)ACD/LogD (pH 7.4): 1.74; (5)ACD/BCF (pH 5.5): 1.38; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.23; (8)ACD/KOC (pH 7.4): 1.44; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 21; (12)Polar Surface Area: 120.36 Å2.
You can still convert the following datas into molecular structure:
1.SMILES: [Na+].[Na+].[O-]S(=O)(=O)C(C(=O)[O-])CC(=O)NCCCCCCCCCCCCCCCCCC
2.InChI: InChI=1/C22H43NO6S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-21(24)19-20(22(25)26)30(27,28)29;;/h20H,2-19H2,1H3,(H,23,24)(H,25,26)(H,27,28,29);;/q;2*+1/p-2
3.InChIKey: YXLIYGUJLJFLJH-NUQVWONBAO
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