MF: C37H29ClN10O22S7
MW: 1225.6 g/mol
IUPAC Name: 4-amino-3-[[5-[[4-chloro-6-[3-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-6-[(1,5-disulfonaphthalen-2-yl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid
SMILES: C1=CC(=CC(=C1)S(=O)(=O)CCOS(=O)(=O)O)NC2=NC(=NC(=N2)Cl)NC3=CC(=C(C=C3)S(=O)(=O)O)N=NC4=C(C=C5C=C(C(=C(C5=C4N)O)N=NC6=C(C7=C(C=C6)C(=CC=C7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O
InChIKey: LXURQYPCRWMXGL-UHFFFAOYSA-N
InChI: InChI=1S/C37H29ClN10O22S7/c38-35-42-36(40-18-3-1-4-20(15-18)71(50,51)12-11-70-77(67,68)69)44-37(43-35)41-19-7-10-26(73(55,56)57)24(16-19)46-47-31-27(74(58,59)60)13-17-14-28(75(61,62)63)32(33(49)29(17)30(31)39)48-45-23-9-8-21-22(34(23)76(64,65)66)5-2-6-25(21)72(52,53)54/h1-10,13-16,49H,11-12,39H2,(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H2,40,41,42,43,44)
