C.I. Reactive Black 45

Molecular Formula: C₃₉H₂₆ClN₁₀Na₅O₁₆S₅

InChI: InChI=1/C39H31ClN10O16S5.5Na/c1-19-12-27(20(2)11-26(19)43-39-45-37(40)44-38(46-39)42-23-9-6-10-24(15-23)67(52,53)54)47-48-28-17-32(70(61,62)63)29(18-31(28)69(58,59)60)49-50-35-33(71(64,65)66)14-21-13-25(68(55,56)57)16-30(34(21)36(35)51)41-22-7-4-3-5-8-22;;;;;/h3-18,41,49H,1-2H3,(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H2,42,43,44,45,46);;;;;/q;5*+1/p-5/b48-47+,50-35-;;;;;/fC39H26ClN10O16S5.5Na/h42-43H;;;;;/q-5;5m

InChIKey: InChIKey=AQSKGVPEGJTHOF-AUXIOXDBDO
SMILES: CC1=CC(=C(C=C1NC2=NC(=NC(=N2)NC3=CC(=CC=C3)S(=O)(=O)[O-])Cl)C)N=NC4=CC(=C(C=C4S(=O)(=O)[O-])NN=C5C(=CC6=CC(=CC(=C6C5=O)NC7=CC=CC=C7)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]

Names:
    C.I. Reactive Black 45
    EE4001207
    Pentanatrium-5-anilino-3-(4-(4-(6-chloor-4-(3-sulfonatoanilino)-1,3,5-triazine-2-ylamino)-2,5-dimethylfenylazo)-2,5-disulfonatofenylazo)-4-hydroxynaftaleen-2,7-disulfonaat [Dutch]
    Pentanatrium-5-anilino-3-(4-(4-(6-chlor-4-(3-sulfonatoanilino)-1,3,5-triazin-2-ylamino)-2,5-dimethylphenylazo)-2,5-disulfonatophenylazo)-4-hydroxynaphthalen-2,7-disulfonat [Danish]
    Pentanatrium-5-anilino-3-(4-(4-(6-chlor-4-(3-sulfonatoanilino)-1,3,5-triazin-2-ylamino)-2,5-dimethylphenylazo)-2,5-disulfonatophenylazo)-4-hydroxynaphthalin-2,7-disulfonat [German]
    pentasodium (3Z)-5-anilino-3-[[4-[4-[[4-chloro-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,5-dimethyl-phenyl]diazenyl-2,5-disulfonato-phenyl]hydrazinylidene]-4-oxo-naphthalene-2,7-disulfonate
    Pentasodium 5-anilino-3-(4-(4-(6-chloro-4-(3-sulfonatoanilino)-1,3,5-triazin-2-ylamino)-2,5-dimethylphenylazo)-2,5-disulfonatophenylazo)-4-hydroxynaphthalene-2,7-disulfonate
    5-Anilino-3-(4-(4-(6-chloro-4-(3-sulfonatoanilino)-1,3,5-triazine-2-ylamino)-2,5-dimethylphenylazo)-2,5-disulfonatophenylazo)-4-hydroxynaphtalene-2,7-disulfonate de pentasodium [French]
    5-Anilino-3-(4-(4-(6-cloro-4-(3-solfonatoanilino)-1,3,5-triazin-2-ilammino)-2,5-dimetilfenilazo)-2,5-disolfonatofenilazo)-4-idrossinaftalen-2,7-disolfonato di pentasodio [Italian]
    5-Anilino-3-(4-(4-(6-cloro-4-(3-sulfonatoanilino)-1,3,5-triazina-2-ilamino)-2,5-dimetilfenilazo)-2,5-dissulfonatofenilazo)-4-hidroxinaftaleno-2,7-dissulfonato de pentassodio [Portuguese]
    5-Anilino-3-(4-(4-(6-cloro-4-(3-sulfonatoanilino)-1,3,5-triazin-2-ilamino)-2,5-dimetilfenilazo)-2,5-disulfonatofenilazo)-4-hidroxinaftaleno-2,7-disulfonato de pentasodio [Spanish]

Registries:
    PubChem CID 11969496
    PubChem ID 201246