ACID BLUE 119(30586-13-1) IR1
Product NameACID BLUE 119
CAS30586-13-1
Molecular FormulaC32H29N3O4S.Na
Molecular Weight595.71
InChIInChI=1S/C38H32N4O3S.Na/c1-26-25-35(21-24-37(26)39)42-33-17-11-29(12-18-33)38(27-7-13-31(14-8-27)40-30-5-3-2-4-6-30)28-9-15-32(16-10-28)41-34-19-22-36(23-20-34)46(43,44)45;/h2-25,41-42H,39H2,1H3,(H,43,44,45);/q;+1/p-1/b38-27-,40-31-;
InChIKey KHBBLQAVAMNPSS-MDJYLBLMSA-M
SmilesC(=C1C=CC(=NC2C=CC=CC=2)C=C1)(C1C=CC(NC2=CC=C(S([O-])(=O)=O)C=C2)=CC=1)C1C=CC(NC2C=CC(N)=C(C)C=2)=CC=1.[Na+] |c:4,t:0|
