DIANIL BLUE 2R

5442-09-1

MFCD00046412

C34 H23 N4 O12 S3 . 3 Na

844.74

InChI=1S/C34H26N4O12S3.3Na/c1-17-11-19(7-9-25(17)35-37-27-16-29(52(45,46)47)23-5-3-4-6-24(23)33(27)40)20-8-10-26(18(2)12-20)36-38-32-30(53(48,49)50)14-21-13-22(51(42,43)44)15-28(39)31(21)34(32)41;;;/h3-16,39-41H,1-2H3,(H,42,43,44)(H,45,46,47)(H,48,49,50);;;/q;3*+1/p-3/b37-35+,38-36+;;;

InChIKey=QGYWSPFTRKORPY-BOXWNSCSSA-K

Cc1cc(ccc1/N=N/c2cc(c3ccccc3c2O)S(=O)(=O)[O-])c4ccc(c(c4)C)/N=N/c5c(cc6cc(cc(c6c5O)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

pro_donors:3

pro_acceptors:16

XLogP3:6.0

Bulk/Fine:F