Brilliant Blue

Molecular Formula: C₃₇H₃₆N₂O₉S₃

InChI: InChI=1/C37H36N2O9S3/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48)/f/h40,46H

InChIKey: InChIKey=CTRXDTYTAAKVSM-YLEPDFFKCN
SMILES: CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=CC=C5S(=O)(=O)O

Names:
    Brilliant Blue (parent)
    Brilliant Blue
    15792-67-3
    25305-78-6
    2650-18-2
    3-[[ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-(2-sulfophenyl)methylidene]-1-cyclohexa-2,5-dienylidene]azaniumyl]methyl]benzenesulfonate
    3844-45-9
    68921-42-6
    70858-35-4
    71701-18-3
    71701-19-4

Registries:
    PubChem CID 123671
    PubChem ID 700389