The Reactive Violet 5, with the CAS registry number 12226-38-9 and EINECS registry number 235-434-1, has the systematic name of trisodium 5-acetamido-4-hydroxy-3-[2-hydroxy-5-(2-sulfonatooxyethylsulfonyl)phenyl]azo-naphthalene-2,7-disulfonate. It belongs to the product category of UVCBs-organometallic. And the molecular formula of the chemical is C20H16N3Na3O15S4.
The characteristics of Reactive Violet 5 are as followings: (1)#H bond acceptors: 18; (2)#H bond donors: 6; (3)#Freely Rotating Bonds: 12; (4)Polar Surface Area: 342.77 Å2.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Na+].[Na+].[Na+].Oc3ccc(cc3/N=N/c2c(cc1cc(cc(NC(C)=O)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)S(=O)(=O)CCOS([O-])(=O)=O
(2)InChI: InChI=1/C20H19N3O15S4.3Na/c1-10(24)21-15-9-13(40(29,30)31)6-11-7-17(41(32,33)34)19(20(26)18(11)15)23-22-14-8-12(2-3-16(14)25)39(27,28)5-4-38-42(35,36)37;;;/h2-3,6-9,25-26H,4-5H2,1H3,(H,21,24)(H,29,30,31)(H,32,33,34)(H,35,36,37);;;/q;3*+1/p-3/b23-22+;;;
(3)InChIKey: UBTDYBUJBRAYEZ-AQGGDVMPBT
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