C.I. Reactive Brown 45

Molecular Formula: C₃₆H₂₀FN₉Na₆O₁₈S₆

InChI: InChI=1/C36H26FN9O18S6.6Na/c1-17-10-18(38-35-40-34(37)41-36(42-35)39-30-15-21(66(50,51)52)4-9-31(30)68(56,57)58)2-6-27(17)44-46-28-7-8-29(24-13-20(65(47,48)49)3-5-23(24)28)45-43-19-11-25-26(32(12-19)69(59,60)61)14-22(67(53,54)55)16-33(25)70(62,63)64;;;;;;/h2-16H,1H3,(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H2,38,39,40,41,42);;;;;;/q;6*+1/p-6/b45-43+,46-44+;;;;;;/fC36H20FN9O18S6.6Na/h38-39H;;;;;;/q-6;6m

InChIKey: InChIKey=FBJYDOJDFAJSKH-XTMJRESRDS
SMILES: CC1=C(C=CC(=C1)NC2=NC(=NC(=N2)F)NC3=C(C=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC4=C5C=CC(=CC5=C(C=C4)N=NC6=CC(=C7C=C(C=C(C7=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Names:
    Bruno Reattivo 45
    Brun Reactif 45
    Cibacron Brown 1347
    C.I. Reactive Brown 45
    EE4016501
    hexasodium 7-[4-[4-[[4-[(2,5-disulfonatophenyl)amino]-6-fluoro-1,3,5-triazin-2-yl]amino]-2-methyl-phenyl]diazenyl-7-sulfonato-naphthalen-1-yl]diazenylnaphthalene-1,3,5-trisulfonate
    Reaktiv Braun 45
    7-(4-(4-(2,5-Disulfonatoanilino)-6-fluoro-1,3,5-triazin-2-ilamino)-2-metilfenilazo)-7-sulfonatonaftilazo)naftaleno-1,3,5-trisulfonato de hexasodio [Spanish]
    7-(4-(4-(4-(2,5-Disolfonatoanilino)-6-fluoro-1,3,5-triazin-2-ilammino)-2-metilfenilazo)-7-solfonatonaftilazo)naftalen-1,3,5-trisolfonato di esasodio [Italian]
    7-(4-(4-(4-(2,5-Dissulfonatoanilino)-6-fluoro-1,3,5-triazina-2-ilamino)-2-metilfenilazo)-7-sulfonatonaftilazo)naftaleno-1,3,5-trissulfonato de hexassodio [Portuguese]
    7-(4-(4-(4-(2,5-Disulfonatoanilino)-6-fluoro-1,3,5-triazine-2-ylamino)-2-methylphenylazo)-7-sulfonatonaphtylazo)naphtalene-1,3,5-trisulfonate d'hexasodium [French]

Registries:
    PubChem CID 11969506
    PubChem ID 201384