BERYLLON II(51550-25-5) IR1
Product NameBERYLLON II
CAS51550-25-5
Molecular FormulaC20H10N2Na4O15S4
Molecular Weight738.52
InChIInChI=1S/C20H14N2O15S4.4Na/c23-14-6-11(39(29,30)31)2-8-1-10(38(26,27)28)5-13(17(8)14)21-22-19-16(41(35,36)37)4-9-3-12(40(32,33)34)7-15(24)18(9)20(19)25;;;;/h1-7,23-25H,(H,26,27,28)(H,29,30,31)(H,32,33,34)(H,35,36,37);;;;/q;4*+1/p-4/b22-21+;;;;
InChIKey BYOASQSUNKYWNG-LUAAAXEOSA-J
SmilesC12C(O)=CC(S([O-])(=O)=O)=CC1=CC(S([O-])(=O)=O)=CC=2/N=N/C1C(O)=C2C(C=C(S([O-])(=O)=O)C=C2O)=CC=1S([O-])(=O)=O.[Na+].[Na+].[Na+].[Na+]
