DIRECT GREEN 59

7219-11-6

MFCD00266570

C47 H31 N12 O17 S3 . 5 Na

1246.98

InChI=1S/C47H36N12O17S3.5Na/c1-22-14-33(36(76-2)21-32(22)57-56-28-18-31(44(65)66)41(61)38(19-28)79(73,74)75)58-59-40-37(78(70,71)72)16-23-15-29(77(67,68)69)20-34(39(23)42(40)62)50-47-52-45(48-24-6-4-3-5-7-24)51-46(53-47)49-25-8-10-26(11-9-25)54-55-27-12-13-35(60)30(17-27)43(63)64;;;;;/h3-21,60-62H,1-2H3,(H,63,64)(H,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H3,48,49,50,51,52,53);;;;;/q;5*+1/p-5/b55-54+,57-56+,59-58+;;;;;

InChIKey=QLKQKKXODVPPLY-HFOGZNMFSA-I

Cc1cc(c(cc1/N=N/c2cc(c(c(c2)S(=O)(=O)[O-])O)C(=O)[O-])OC)/N=N/c3c(cc4cc(cc(c4c3O)Nc5nc(nc(n5)Nc6ccc(cc6)/N=N/c7ccc(c(c7)C(=O)[O-])O)Nc8ccccc8)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]

H bond donor:6

H bond acceptor:29

XLogP3:10.0

Bulk/Fine:F