MF: C44H32Cl2KN14NaO23S7+2
MW: 1482.3g/mol
IUPAC Name: potassium;sodium;5-[[4-chloro-6-[2-[[4-chloro-6-[[8-hydroxy-3,6-disulfo-7-[(2-sulfophenyl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]ethylamino]-1,3,5-triazin-2-yl]amino]-3-[(1,5-disulfonaphthalen-2-yl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
SMILES: C1=CC=C(C(=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)NC4=NC(=NC(=N4)NCCNC5=NC(=NC(=N5)Cl)NC6=C7C(=CC(=C6)S(=O)(=O)O)C=C(C(=C7O)N=NC8=C(C9=C(C=C8)C(=CC=C9)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Cl)O)S(=O)(=O)O.[Na+].[K+]
InChIKey: KTEBWCRPGKJHNE-UHFFFAOYSA-N
InChI: InChI=1S/C44H32Cl2N14O23S7.K.Na/c45-39-51-41(55-43(53-39)49-26-16-20(84(63,64)65)12-18-14-30(88(75,76)77)34(36(61)32(18)26)59-57-24-5-1-2-6-29(24)87(72,73)74)47-10-11-48-42-52-40(46)54-44(56-42)50-27-17-21(85(66,67)68)13-19-15-31(89(78,79)80)35(37(62)33(19)27)60-58-25-9-8-22-23(38(25)90(81,82)83)4-3-7-28(22)86(69,70)71;;/h1-9,12-17,61-62H,10-11H2,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H2,47,49,51,53,55)(H2,48,50,52,54,56);;/q;2*+1
