Sulphan Blue

Molecular Formula: C₂₇H₃₁N₂NaO₆S₂

InChI: InChI=1/C27H32N2O6S2.Na/c1-5-28(6-2)22-13-9-20(10-14-22)27(21-11-15-23(16-12-21)29(7-3)8-4)25-19-24(36(30,31)32)17-18-26(25)37(33,34)35;/h9-19H,5-8H2,1-4H3,(H-,30,31,32,33,34,35);/q;+1/p-1/fC27H31N2O6S2.Na/q-1;m

InChIKey: InChIKey=NLUFDZBOHMOBOE-NJVXFIBPCQ
SMILES: CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=C(C=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+]

Names:
    CI 42045
    Disulphin Blau
    Isosulfan blue [USAN]
    ISOSULFAN BLUE
    Iso-sulfan blue
    Patentblau V
    Patent blau V
    sodium 2-[(4-diethylaminophenyl)-(4-diethylazaniumylidene-1-cyclohexa-2,5-dienylidene)methyl]benzene-1,4-disulfonate
    Sulfanblau
    Sulphan blue 2,5-disulfophenyl isomer
    Sulphan Blue

Registries:
    PubChem CID 50108
    PubChem ID 188634