5-[(E)-[4-[(E)-[4-[(4-AMINO-6-CHLORO-1,3,5-TRIAZIN-2-YL)AMINO]-7-SULFONAPHTHALEN-1-YL]DIAZENYL]NAPHTHALEN-1-YL]DIAZENYL]NAPHTHALENE-1,3,6-TRISULFONIC ACID

50978-80-8

MFCD19707555

C33 H22 Cl N9 O12 S4

900.305

InChI=1S/C33H22ClN9O12S4/c34-31-37-32(35)39-33(38-31)36-24-8-9-27(22-13-16(56(44,45)46)5-6-20(22)24)41-40-25-10-11-26(19-4-2-1-3-18(19)25)42-43-30-23-14-17(57(47,48)49)15-29(59(53,54)55)21(23)7-12-28(30)58(50,51)52/h1-15H,(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H3,35,36,37,38,39)/b41-40+,43-42+

InChIKey=LWQGDVCHDQAPLU-LINOHWEVSA-N

c1ccc2c(c1)c(ccc2/N=N/c3c(ccc4c3cc(cc4S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)/N=N/c5ccc(c6c5cc(cc6)S(=O)(=O)O)Nc7nc(nc(n7)Cl)N

H bond donor:6

H bond acceptor:21

XLogP3:4.0

Bulk/Fine:F