C.I. Reactive Red 56

Molecular Formula: C30H19Cl3N11Na3O10S3


InChI: InChI=1/C30H22Cl3N11O10S3.3Na/c1-34-28-40-29(36-15-6-4-5-14(11-15)35-26-22(31)25(32)38-27(33)39-26)42-30(41-28)37-18-12-16(55(46,47)48)9-13-10-20(57(52,53)54)23(24(45)21(13)18)44-43-17-7-2-3-8-19(17)56(49,50)51;;;/h2-12,43H,1H3,(H,35,38,39)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H3,34,36,37,40,41,42);;;/q;3*+1/p-3/b44-23-;;;/fC30H19Cl3N11O10S3.3Na/h34-37H;;;/q-3;3m

InChIKey: InChIKey=BUSBMHDVDUKLCY-CKJMQWLTDS
SMILES: CNC1=NC(=NC(=N1)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C(=NNC4=CC=CC=C4S(=O)(=O)[O-])C3=O)S(=O)(=O)[O-])NC5=CC=CC(=C5)NC6=C(C(=NC(=N6)Cl)Cl)Cl.[Na+].[Na+].[Na+]

Names:
    C.I. Reactive Red 56
    EINECS 276-372-5
    trisodium (3Z)-5-[[4-methylamino-6-[[3-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]amino]-1,3,5-triazin-2-yl]amino]-4-oxo-3-[(2-sulfonatophenyl)hydrazinylidene]naphthalene-2,7-disulfonate
    Trisodium 4-hydroxy-5-((4-(methylamino)-6-((3-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)amino)-1,3,5-triazin-2-yl)amino)-3-((2-sulphonatophenyl)azo)naphthalene-2,7-disulphonate
    2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-((4-(methylamino)-6-((3-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)amino)-1,3,5-triazin-2-yl)amino)-3-((2-sulfophenyl)azo)-, trisodium salt
    72139-15-2

Registries:
    PubChem CID 11969489
    PubChem ID 199477