NSC42068

Molecular Formula: C₂₁H₁₇NO₁₂S

InChI: InChI=1/C21H17NO12S/c23-14-5-9(20(28)29)6-16(18(14)26)34-21(30)12-7-15(24)19(27)17(25)13(12)8-22-10-1-3-11(4-2-10)35(31,32)33/h1-7,22-27H,8H2,(H,28,29)(H,31,32,33)/f/h28,31H

InChIKey: InChIKey=RJJSOEOZFBULGW-PVANZQSZCH
SMILES: C1=CC(=CC=C1NCC2=C(C(=C(C=C2C(=O)OC3=CC(=CC(=C3O)O)C(=O)O)O)O)O)S(=O)(=O)O

Names:
    NSC42068
    3,4-dihydroxy-5-[3,4,5-trihydroxy-2-[[(4-sulfophenyl)amino]methyl]benzoyl]oxy-benzoic acid
    6308-50-5

Registries:
    PubChem CID 237974
    PubChem ID 96739