COOMASSIE BRILLIANT BLUE R

Molecular Formula: C₄₅H₄₄N₃NaO₇S₂

InChI: InChI=1/C45H45N3O7S2.Na/c1-4-47(31-33-9-7-11-43(29-33)56(49,50)51)40-23-15-36(16-24-40)45(35-13-19-38(20-14-35)46-39-21-27-42(28-22-39)55-6-3)37-17-25-41(26-18-37)48(5-2)32-34-10-8-12-44(30-34)57(52,53)54;/h7-30H,4-6,31-32H2,1-3H3,(H2,49,50,51,52,53,54);/q;+1/p-1/fC45H44N3O7S2.Na/h46H;/q-1;m

InChIKey: InChIKey=NKLPQNGYXWVELD-KORQVUPOCW
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=C(C=C5)NC6=CC=C(C=C6)OCC.[Na+]

Names:
    Benzenemethanaminium, N-(4-((4-((4-ethoxyphenyl)amino)phenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, hydroxide, inner salt, monosodium salt
    Benzenemethanaminium, N-(4-((4-((4-ethoxyphenyl)amino)phenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, inner salt, monosodium salt
    Brilliant Blue R
    COOMASSIE BRILLIANT BLUE R
    C.I. Acid Blue 83
    EINECS 228-060-5
    Eriosin Brilliant Cyanine 6B
    sodium 3-[[[4-[[4-[(4-ethoxyphenyl)amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]-1-cyclohexa-2,5-dienylidene]methyl]phenyl]-ethyl-amino]methyl]benzenesulfonate
    12698-46-3
    6104-59-2
    86697-48-5

Registries:
    PubChem CID 61365
    PubChem ID 197629