6-benzothiazol-2-yl-1-butyl-4-(4-methoxyphenyl)-2-(4-sulfophenyl)pyridine-5-sulfonate

Molecular Formula: C₂₉H₂₆N₂O₇S₃

InChI: InChI=1/C29H26N2O7S3/c1-3-4-17-31-25(20-11-15-22(16-12-20)40(32,33)34)18-23(19-9-13-21(38-2)14-10-19)28(41(35,36)37)27(31)29-30-24-7-5-6-8-26(24)39-29/h5-16,18H,3-4,17H2,1-2H3,(H-,32,33,34,35,36,37)/f/h32H

InChIKey: InChIKey=DPCJGLSPRSJAAS-OKPOJWAQCW
SMILES: CCCC[N+]1=C(C=C(C(=C1C2=NC3=CC=CC=C3S2)S(=O)(=O)[O-])C4=CC=C(C=C4)OC)C5=CC=C(C=C5)S(=O)(=O)O

Names:
    6-benzothiazol-2-yl-1-butyl-4-(4-methoxyphenyl)-2-(4-sulfophenyl)pyridine-5-sulfonate

Registries:
    PubChem CID 4220325
    PubChem ID 8389981