7-BENZOYLAMINO-4-HYDROXY-3-[[2-METHOXY-4-[(4-SODIOSULFOPHENYL)AZO]PHENYL]AZO]NAPHTHALENE-2-SULFONIC ACID SODIUM SALT

5873-27-8

MFCD21609073

C30 H21 N5 O9 S2 . 2 Na

705.634

InChI=1S/C30H23N5O9S2.2Na/c1-44-26-17-22(33-32-20-7-11-23(12-8-20)45(38,39)40)10-14-25(26)34-35-28-27(46(41,42)43)16-19-15-21(9-13-24(19)29(28)36)31-30(37)18-5-3-2-4-6-18;;/h2-17,36H,1H3,(H,31,37)(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2/b33-32+,35-34+;;

InChIKey=NFVBDFKQUMBACQ-NDRCTJIESA-L

COc1cc(ccc1/N=N/c2c(cc3cc(ccc3c2O)NC(=O)c4ccccc4)S(=O)(=O)[O-])/N=N/c5ccc(cc5)S(=O)(=O)[O-].[Na+].[Na+]

H bond donor:2

H bond acceptor:14

XLogP3:4.0

Bulk/Fine:F