AIDS-125681

Molecular Formula: C36H31N9O7S


InChI: InChI=1/C36H31N9O7S/c1-20-15-26(39-35(47)23-7-9-25(37)10-8-23)11-13-29(20)42-41-28-12-14-30(21(2)16-28)43-45-33-18-31(38-22(3)46)32(19-34(33)53(50,51)52)44-40-27-6-4-5-24(17-27)36(48)49/h4-19H,37H2,1-3H3,(H,38,46)(H,39,47)(H,48,49)(H,50,51,52)/b42-41+,44-40+,45-43+/f/h38-39,48,50H

InChIKey: InChIKey=NVUVXNHUZFYHLD-XODQACFXDT
SMILES: CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)N)N=NC3=CC(=C(C=C3)N=NC4=CC(=C(C=C4S(=O)(=O)O)N=NC5=CC=CC(=C5)C(=O)O)NC(=O)C)C

Names:
    AIDS-125681
    AIDS125681
    NSC79734
    3-((2-(Acetylamino)-4-((4-((4-((4-aminobenzoyl)amino)-2-methylphenyl)diazenyl)-2-methylphenyl)diazenyl)-5-sulfophenyl)diazenyl)benzoic acid
    3-[2-acetamido-4-[4-[4-[(4-aminobenzoyl)amino]-2-methyl-phenyl]diazenyl-2-methyl-phenyl]diazenyl-5-sulfo-phenyl]diazenylbenzoic acid

Registries:
    PubChem CID 416571
    PubChem ID 221630