DIRECT BROWN 74

8014-91-3

MFCD00266883

C80 H46 N16 O20 S4 . 6 Na

1817.54

InChI=1S/C80H52N16O20S4.6Na/c97-75-29-17-51(33-65(75)79(101)102)85-81-47-9-1-43(2-10-47)45-5-13-49(14-6-45)83-89-67-25-28-70(62-38-56(118(108,109)110)21-23-59(62)67)92-96-74-36-54(20-32-78(74)100)88-94-72-42-58(120(114,115)116)39-63-64(72)40-57(119(111,112)113)41-71(63)93-87-53-19-31-77(99)73(35-53)95-91-68-26-27-69(61-37-55(117(105,106)107)22-24-60(61)68)90-84-50-15-7-46(8-16-50)44-3-11-48(12-4-44)82-86-52-18-30-76(98)66(34-52)80(103)104;;;;;;/h1-42,97-100H,(H,101,102)(H,103,104)(H,105,106,107)(H,108,109,110)(H,111,112,113)(H,114,115,116);;;;;;/q;6*+1/p-6/b85-81+,86-82+,89-83+,90-84+,93-87+,94-88+,95-91+,96-92+;;;;;;

InChIKey=VBRIXXWVLJOKQZ-SGCGCGNCSA-H

c1cc(ccc1c2ccc(cc2)/N=N/c3ccc(c4c3ccc(c4)S(=O)(=O)[O-])/N=N/c5cc(ccc5O)/N=N/c6cc(cc7c6cc(cc7/N=N/c8ccc(c(c8)/N=N/c9ccc(c1c9ccc(c1)S(=O)(=O)[O-])/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)[O-])O)O)S(=O)(=O)[O-])S(=O)(=O)[O-])/N=N/c1ccc(c(c1)C(=O)[O-])O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

pro_donors:4

pro_acceptors:36

XLogP3:0.0

Bulk/Fine:FB