ACID RED 114(6459-94-5) IR1
Product NameACID RED 114
CAS6459-94-5
Molecular FormulaC37H28N4Na2O10S3
Molecular Weight830.81
InChIInChI=1S/C37H30N4O10S3.2Na/c1-22-4-13-30(14-5-22)54(49,50)51-29-11-9-28(10-12-29)38-39-32-15-6-25(18-23(32)2)26-7-16-33(24(3)19-26)40-41-37-34(42)17-8-27-20-31(52(43,44)45)21-35(36(27)37)53(46,47)48;;/h4-21,42H,1-3H3,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2/b39-38+,41-40+;;
InChIKey HNBQFKZSMFFZQY-WEUAPPMUSA-L
SmilesC12C(S([O-])(=O)=O)=CC(S([O-])(=O)=O)=CC1=CC=C(O)C=2/N=N/C1C=CC(C2C=CC(/N=N/C3=CC=C(OS(=O)(=O)C4C=CC(C)=CC=4)C=C3)=C(C)C=2)=CC=1C.[Na+].[Na+]
