QUINOBENE

140942-13-8

MFCD00916674

C32 H18 N6 O14 S4 . 4 Na

930.746

InChI=1S/C32H22N6O14S4.4Na/c39-31-23(15-27(55(47,48)49)21-3-1-11-33-29(21)31)37-35-19-9-7-17(25(13-19)53(41,42)43)5-6-18-8-10-20(14-26(18)54(44,45)46)36-38-24-16-28(56(50,51)52)22-4-2-12-34-30(22)32(24)40;;;;/h1-16,39-40H,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;;/q;4*+1/p-4/b6-5+,37-35+,38-36+;;;;

InChIKey=JBISMGFDJQAWEF-ULVSVMGDSA-J

c1cc2c(cc(c(c2nc1)O)/N=N/c3ccc(c(c3)S(=O)(=O)[O-])/C=C/c4ccc(cc4S(=O)(=O)[O-])/N=N/c5cc(c6cccnc6c5O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

H bond donor:2

H bond acceptor:20

XLogP3:3.0

Bulk/Fine:F