61951-82-4 Purity
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Specification
The IUPAC name of Reactive Violet 2 is hexasodium;5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-hydroxy-5-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid;5-[(4-chloro-6-phenoxy-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-hydroxy-5-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid;copper.
The InChI of Reactive Violet 2 is InChI=1S/C25H17ClN6O12S3.C19H14ClN7O11S3.2Cu.6Na/c26-23-28-24(30-25(29-23)44-13-4-2-1-3-5-13)27-17-11-15(46(38,39)40)8-12-9-19(47(41,42)43)21(22(34)20(12)17)32-31-16-10-14(45(35,36)37)6-7-18(16)33;20-17-23-18(21)25-19(24-17)22-11-6-9(40(33,34)35)3-7-4-13(41(36,37)38)15(16(29)14(7)11)27-26-10-5-8(39(30,31)32)1-2-12(10)28;;;;;;;;/h1-11,33-34H,(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,27,28,29,30);1-6,28-29H,(H,30,31,32)(H,33,34,35)(H,36,37,38)(H3,21,22,23,24,25);;;;;;;;/q;;;;6*+1.
The InChIKey of Reactive Violet 2 is JQTDXLSGUFIZOL-UHFFFAOYSA-N.
The canonical SMILES of Reactive Violet 2 is C1=CC=C(C=C1)OC2=NC(=NC(=N2)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C(=C4O)N=NC5=C(C=CC(=C5)S(=O)(=O)O)O)S(=O)(=O)O)Cl.C1=CC(=C(C=C1S(=O)(=O)O)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)NC4=NC(=NC(=N4)N)Cl)O)O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Cu].[Cu].
The molecular weight of Reactive Violet 2 is 1638.1 g/mol.
There are 13 hydrogen bond donor counts present in Reactive Violet 2.
The hydrogen bond acceptor count of Reactive Violet 2 is 36.
Reactive Violet 2 has 6 rotatable bond counts.
The exact mass of Reactive Violet 2 is 1634.733517 g/mol.
There are 96 heavy atoms present in Reactive Violet 2.