Acid Blue 93(28983-56-4) IR2
Product NameAcid Blue 93
CAS28983-56-4
Molecular FormulaC37H29N3O9S3.2Na
Molecular Weight799.8
InChIInChI=1S/C37H29N3O9S3.2Na/c41-50(42,43)34-19-13-31(14-20-34)38-28-7-1-25(2-8-28)37(26-3-9-29(10-4-26)39-32-15-21-35(22-16-32)51(44,45)46)27-5-11-30(12-6-27)40-33-17-23-36(24-18-33)52(47,48)49;;/h1-24,38-39H,(H,41,42,43)(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2
InChIKey MCPLVIGCWWTHFH-UHFFFAOYSA-L
SmilesC(=C1C=CC(=NC2=CC=C(S([O-])(=O)=O)C=C2)C=C1)(C1=CC=C(NC2=CC=C(S([O-])(=O)=O)C=C2)C=C1)C1=CC=C(NC2=CC=C(S(=O)(=O)O)C=C2)C=C1.[Na+].[Na+] |c:4,t:0|
