DIRECT BLUE 15(2429-74-5) IR1
Product NameDIRECT BLUE 15
CAS2429-74-5
Molecular FormulaC34H29N6NaO16S4
Molecular Weight928.86
InChIInChI=1S/C34H28N6O16S4.Na.H/c1-55-25-9-15(3-5-23(25)37-39-31-27(59(49,50)51)11-17-7-19(57(43,44)45)13-21(35)29(17)33(31)41)16-4-6-24(26(10-16)56-2)38-40-32-28(60(52,53)54)12-18-8-20(58(46,47)48)14-22(36)30(18)34(32)42;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;/b39-37+,40-38+;;
InChIKey ZNQBSKFCSVHSKE-DVDDBBOFSA-N
SmilesOC1=C(C(S(O)(=O)=O)=CC2=CC(S(O)(=O)=O)=CC(N)=C12)/N=N/C1C=CC(C2C=CC(/N=N/C3=C(C4=C(C=C(S(O)(=O)=O)C=C4C=C3S(O)(=O)=O)N)O)=C(OC)C=2)=CC=1OC.[NaH]
