C.I. Acid Red 111, disodium salt

Molecular Formula: C₃₇H₂₈N₄Na₂O₁₀S₃

InChI: InChI=1/C37H30N4O10S3.2Na/c1-22-4-12-30(13-5-22)54(49,50)51-29-10-6-26(7-11-29)38-39-27-8-15-32(23(2)18-27)33-16-9-28(19-24(33)3)40-41-36-35(53(46,47)48)21-25-20-31(52(43,44)45)14-17-34(25)37(36)42;;/h4-21,40H,1-3H3,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2/b39-38+,41-36-;;/fC37H28N4O10S3.2Na/q-2;2m

InChIKey: InChIKey=COTCTDGJRPYXGL-HFFBOPCFDW
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N=NC3=CC(=C(C=C3)C4=C(C=C(C=C4)NN=C5C(=CC6=C(C5=O)C=CC(=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])C)C.[Na+].[Na+]

Names:
    CCRIS 2424
    C.I. Acid Red 111, disodium salt
    C.I. ACID RED 111
    C.I. Acid Red 111, disodium salt
    disodium (3Z)-3-[[3-methyl-4-[2-methyl-4-[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl-phenyl]phenyl]hydrazinylidene]-4-oxo-naphthalene-2,7-disulfonate
    Disodium 3-((2,2'-dimethyl-4'-((4-(((p-tolyl)sulphonyl)oxy)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-4-hydroxynaphthalene-2,7-disulphonate
    EINECS 228-779-4
    2,7-Naphthalenedisulfonic acid, 3-((2,2'-dimethyl-4'-((4-(((4-methylphenyl)sulfonyl)oxy)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-4-hydroxy-, disodium salt
    51278-14-9
    6358-57-2

Registries:
    PubChem CID 9570226
    PubChem ID 165442