Acid blue 1(129-17-9) IR1
Product NameAcid blue 1
CAS129-17-9
Molecular FormulaC27H33N2NaO6S2
Molecular Weight568.68
InChIInChI=1S/C27H32N2O6S2.Na/c1-5-28(6-2)22-13-9-20(10-14-22)27(21-11-15-23(16-12-21)29(7-3)8-4)25-18-17-24(36(30,31)32)19-26(25)37(33,34)35;/h9-19H,5-8H2,1-4H3,(H-,30,31,32,33,34,35);/q;+1/p-1
InChIKey SJEYSFABYSGQBG-UHFFFAOYSA-M
SmilesC(=C1C=CC(=[N+](CC)CC)C=C1)(C1=CC=C(N(CC)CC)C=C1)C1C=CC(S(O[Na])(=O)=O)=CC=1S([O-])(=O)=O |c:0,t:4|
KBr disc
