Aniline Blue(28631-66-5) MS
Product NameAniline Blue
CAS28631-66-5
Molecular FormulaC32H27N3O9S3.2Na
Molecular Weight737.73
InChIInChI=1S/C32H27N3O9S3.2Na/c1-20-18-23(19-30(32(20)33)47(42,43)44)31(21-2-6-24(7-3-21)34-26-10-14-28(15-11-26)45(36,37)38)22-4-8-25(9-5-22)35-27-12-16-29(17-13-27)46(39,40)41;;/h2-19,34H,33H2,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2/b31-22-,35-25+;;
InChIKey XOSXWYQMOYSSKB-LDKJGXKFSA-L
SmilesC(=C1C=CC(=NC2C=CC(S([O-])(=O)=O)=CC=2)C=C1)(C1C=CC(NC2C=CC(S(=O)(=O)O)=CC=2)=CC=1)C1=CC(=C(N)C(S([O-])(=O)=O)=C1)C.[Na+].[Na+] |t:0,4|
