C.I. DIRECT BLACK 22

Molecular Formula: C₄₄H₃₂N₁₃Na₃O₁₁S₃

InChI: InChI=1/C44H35N13O11S3.3Na/c45-24-3-12-35(33(47)17-24)54-51-28-5-1-22-15-39(70(63,64)65)41(43(58)31(22)19-28)56-50-27-9-7-26(8-10-27)49-37-14-11-30(21-38(37)69(60,61)62)53-57-42-40(71(66,67)68)16-23-2-6-29(20-32(23)44(42)59)52-55-36-13-4-25(46)18-34(36)48;;;/h1-21,49-50,53H,45-48H2,(H,60,61,62)(H,63,64,65)(H,66,67,68);;;/q;3*+1/p-3/b54-51+,55-52+,56-41+,57-42+;;;/fC44H32N13O11S3.3Na/q-3;3m

InChIKey: InChIKey=KCLJSZPAUJRRGH-YXZDHOMZDZ
SMILES: C1=CC(=CC=C1NC2=C(C=C(C=C2)NN=C3C(=CC4=C(C3=O)C=C(C=C4)N=NC5=C(C=C(C=C5)N)N)S(=O)(=O)[O-])S(=O)(=O)[O-])NN=C6C(=CC7=C(C6=O)C=C(C=C7)N=NC8=C(C=C(C=C8)N)N)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Names:
    CCRIS 1390
    C.I. DIRECT BLACK 22
    EINECS 229-326-3
    trisodium (3E)-6-(2,4-diaminophenyl)diazenyl-3-[[4-[[4-[(2E)-2-[7-(2,4-diaminophenyl)diazenyl-1-oxo-3-sulfonato-naphthalen-2-ylidene]hydrazinyl]phenyl]amino]-3-sulfonato-phenyl]hydrazinylidene]-4-oxo-naphthalene-2-sulfonate
    Trisodium 6-((2,4-diaminophenyl)azo)-3-((4-((4-((7-((2,4-diaminophenyl)azo)-1-hydroxy-3-sulphonato-2-naphthyl)azo)phenyl)amino)-3-sulphonatophenyl)azo)-4-hydroxynaphthalene-2-sulphonate
    2-Naphthalenesulfonic acid, 6-((2,4-diaminophenyl)azo)-3-((4-((4-((7-((2,4-diaminophenyl)azo)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)phenyl)amino)-3-sulfophenyl)azo)-4-hydroxy-, trisodium salt
    6473-13-8

Registries:
    PubChem CID 9566062
    PubChem ID 165559