C.I. Direct Black 80

Molecular Formula: C36H23N8Na3O11S3


InChI: InChI=1/C36H26N8O11S3.3Na/c37-20-3-1-18-13-31(57(50,51)52)33(35(45)26(18)15-20)44-41-23-4-2-19-14-32(58(53,54)55)34(36(46)27(19)16-23)43-40-22-7-5-21(6-8-22)39-42-30-12-11-29(38)25-10-9-24(17-28(25)30)56(47,48)49;;;/h1-17,40-41H,37-38H2,(H,47,48,49)(H,50,51,52)(H,53,54,55);;;/q;3*+1/p-3/b42-39+,43-34+,44-33+;;;/fC36H23N8O11S3.3Na/q-3;3m

InChIKey: InChIKey=BJVBDNUYJYDYTG-ACTTYHLSDP
SMILES: C1=CC(=CC=C1NN=C2C(=CC3=C(C2=O)C=C(C=C3)NN=C4C(=CC5=C(C4=O)C=C(C=C5)N)S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC6=C7C=C(C=CC7=C(C=C6)N)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Names:
    C.I. Direct Black 80
    DIRECT BLACK 80
    EINECS 232-322-4
    trisodium (3E)-6-[(2E)-2-(7-amino-1-oxo-3-sulfonato-naphthalen-2-ylidene)hydrazinyl]-3-[[4-(4-amino-7-sulfonato-naphthalen-1-yl)diazenylphenyl]hydrazinylidene]-4-oxo-naphthalene-2-sulfonate
    Trisodium 6-((7-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo)-3-((4-((4-amino-6(or 7)-sulphonatonaphthyl)azo)phenyl)azo)-4-hydroxynaphthalene-2-sulphonate
    2-Naphthalenesulfonic acid, 6-((7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-3-((4-((4-amino-6(or 7)-sulfo-1-naphthalenyl)azo)phenyl)azo)-4-hydroxy-, trisodium salt
    39384-51-5
    8003-69-8

Registries:
    PubChem CID 9570257
    PubChem ID 167225