Pyrrole blue(1324-86-3) IR2
Product NamePyrrole blue
CAS1324-86-3
Molecular FormulaC40H30N3NaO6S2
Molecular Weight735.8
InChIInChI=1S/C40H31N3O6S2.Na/c1-25-20-30(10-19-39(25)41)40(28-4-11-33(12-5-28)42-35-15-2-26-8-17-37(50(44,45)46)23-31(26)21-35)29-6-13-34(14-7-29)43-36-16-3-27-9-18-38(51(47,48)49)24-32(27)22-36;/h2-24,42H,41H2,1H3,(H,44,45,46)(H,47,48,49);/q;+1/p-1/b40-29-,43-34-;
InChIKey UJMOQGMQIUKDFI-SLWQXHLQSA-M
SmilesC(C1C=CC(N)=C(C)C=1)(=C1C=CC(=NC2C=CC3=CC=C(S([O-])(=O)=O)C=C3C=2)C=C1)C1=CC=C(NC2=CC=C3C=CC(S(=O)(=O)O)=CC3=C2)C=C1.[Na+] |c:9,13|
