4,4'-BIS[[4-[BIS(2-HYDROXYETHYL)AMINO]-6-(M-SULFO(PHENYLAMINO))-1,3,5-TRIAZIN-2-YL]AMINO]STILBENE-2,2'-DISULFONIC ACID

5131-70-4

MFCD19705243

C40 H44 N12 O16 S4

1077.12

InChI=1S/C40H44N12O16S4/c53-17-13-51(14-18-54)39-47-35(41-27-3-1-5-31(21-27)69(57,58)59)45-37(49-39)43-29-11-9-25(33(23-29)71(63,64)65)7-8-26-10-12-30(24-34(26)72(66,67)68)44-38-46-36(48-40(50-38)52(15-19-55)16-20-56)42-28-4-2-6-32(22-28)70(60,61)62/h1-12,21-24,53-56H,13-20H2,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H2,41,43,45,47,49)(H2,42,44,46,48,50)/b8-7+

InChIKey=NCIZQSIIFQYLMW-BQYQJAHWSA-N

c1cc(cc(c1)S(=O)(=O)O)Nc2nc(nc(n2)N(CCO)CCO)Nc3ccc(c(c3)S(=O)(=O)O)/C=C/c4ccc(cc4S(=O)(=O)O)Nc5nc(nc(n5)N(CCO)CCO)Nc6cccc(c6)S(=O)(=O)O

pro_donors:12

pro_acceptors:28

XLogP3:1.0

Bulk/Fine:F