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Reactive Violet 5 (12226-38-9)

Identification
Name:Reactive Violet 5
Synonyms:2,7-Naphthalenedisulfonicacid, 5-(acetylamino)-4-hydroxy-3-[[2-hydroxy-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-,copper complex;Copper,5-(acetylamino)-4-hydroxy-3-[[2-hydroxy-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-2,7-naphthalenedisulfonicacid complex;Bezactiv Violet V 5R;Bezaktiv Violet V 5R;C.I. 18097;CavaliteBrilliant Violet 5R;Celmazol Brilliant Violet 5R;Intracron Brilliant Violet VS 5R;Primazin Brilliant Violet RL;C.I. Reactive Violet 5;Reactive Violet KN 4R;Reactofix Supra Violet H 5RL;Remazol BrilliantViolet 5R;Sunzol Brilliant Violet 5R;Sunzol Violet 5R;
CAS:12226-38-9
EINECS: 235-434-1
Molecular Formula: C20H16N3Na3O15S4
Molecular Weight: 735.56
InChI: InChI=1/C20H21N3O15S4.Cu.3Na/c1-10(24)21-15-8-13(40(29,30)31)6-11-7-17(41(32,33)34)19(20(26)18(11)15)23-22-14-3-2-12(9-16(14)25)39(27,28)5-4-38-42(35,36)37;;;;/h2-3,6-9,11,18,25-26H,4-5H2,1H3,(H,21,24)(H,29,30,31)(H,32,33,34)(H,35,36,37);;;;/q;+2;3*+1/p-5/b23-22+;;;;
Molecular Structure: (C20H16N3Na3O15S4) 2,7-Naphthalenedisulfonicacid, 5-(acetylamino)-4-hydroxy-3-[[2-hydroxy-4-[[2-(sulfooxy)ethyl]sulfony...
Properties
Specification:

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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