REACTIVE RED 45

12226-22-1 ;70210-46-7

MFCD00800434

C27 H19 Cl N7 O10 S3 . 3 Na

802.107

InChI=1S/C27H22ClN7O10S3.3Na/c1-13-3-6-16(7-4-13)29-26-31-25(28)32-27(33-26)30-19-12-17(46(37,38)39)10-15-11-21(48(43,44)45)23(24(36)22(15)19)35-34-18-8-5-14(2)9-20(18)47(40,41)42;;;/h3-12,36H,1-2H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H2,29,30,31,32,33);;;/q;3*+1/p-3/b35-34+;;;

InChIKey=AUKLZQPZSCNORC-FEISSGSOSA-K

Cc1ccc(cc1)Nc2nc(nc(n2)Cl)Nc3cc(cc4c3c(c(c(c4)S(=O)(=O)[O-])/N=N/c5ccc(cc5S(=O)(=O)[O-])C)O)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

氢键供体数量:3

氢键受体数量:17

XLogP3:4.0

Bulk/Fine:F