Direct Black 38(1937-37-7) IR1
Product NameDirect Black 38
CAS1937-37-7
Molecular FormulaC34H28N9NaO7S2
Molecular Weight761.76
InChIInChI=1S/C34H27N9O7S2.2Na/c35-22-10-15-27(26(36)18-22)41-38-24-11-6-19(7-12-24)20-8-13-25(14-9-20)40-42-32-28(51(45,46)47)16-21-17-29(52(48,49)50)33(34(44)30(21)31(32)37)43-39-23-4-2-1-3-5-23;;/h1-18,44H,35-37H2,(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2/b41-38+,42-40+,43-39+;;
InChIKey XRPLBRIHZGVJIC-UVHCWRHYSA-L
SmilesC12C(O)=C(C(S([O-])(=O)=O)=CC1=CC(S([O-])(=O)=O)=C(/N=N/C1C=CC(C3C=CC(/N=N/C4C=CC(N)=CC=4N)=CC=3)=CC=1)C=2N)/N=N/C1C=CC=CC=1.[Na+].[Na+]
