reactive yellow 86

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 2
Total Number of Articles : 2
PubChem 122231
Molecular Formula

C18H14Cl2N8Na2O9S2

SMILES

CCN1C(=C(C(=C(C1=O)N=NC2=C(C=C(C(=C2)NC3=NC(=NC(=N3)Cl)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])C)C(=O)N)O.[Na+].[Na+]

InChI

InChI=1S/C18H16Cl2N8O9S2.2Na/c1-3-28-14(30)11(13(21)29)6(2)12(15(28)31)27-26-8-4-7(22-18-24-16(19)23-17(20)25-18)9(38(32,33)34)5-10(8)39(35,36)37;;/h4-5,30H,3H2,1-2H3,(H2,21,29)(H,32,33,34)(H,35,36,37)(H,22,23,24,25);;/q;2*+1/p-2

synonyms
  • DTXSID40890104
  • 1,3-Benzenedisulfonic acid, 4-(2-(5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)diazenyl)-6-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-, sodium salt (1:2)
  • Disodium 4-[[5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl]azo]-6-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzene-1,3-disulphonate
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Properties
Property Value
MW 667.4 g/mol
HBD 3
HBA 15
Rotatable Bond Count 6
Exact Mass 665.9497604 g/mol
Monoisotopic Mass 665.9497604 g/mol
Heavy Atom Count 41
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 3
Complexity 1280
xlogp None
Topological Polar Surface Area 290