NSC76126

Molecular Formula: C31H21N7O13S


InChI: InChI=1/C31H21N7O13S/c39-29(16-1-7-19(8-2-16)36(42)43)48-13-22-24(50-30(40)17-3-9-20(10-4-17)37(44)45)25(51-31(41)18-5-11-21(12-6-18)38(46)47)28(49-22)35-15-34-23-26(35)32-14-33-27(23)52/h1-12,14-15,22,24-25,28H,13H2,(H,32,33,52)/f/h32H

InChIKey: InChIKey=MOJHLYYJCLGEGP-OKPOJWAQCD
SMILES: C1=CC(=CC=C1C(=O)OCC2C(C(C(O2)N3C=NC4=C3NC=NC4=S)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-])OC(=O)C6=CC=C(C=C6)[N+](=O)[O-])[N+](=O)[O-]

Names:
    Inosine, 6-thio-, 2',3',5'-tris (4-nitrobenzoate)
    NSC76126
    9H-Purine-6-thiol, 9-.beta.-D-ribofuranosyl-, 2',3', 5'-tris (p-nitrobenzoate)
    [4-(4-nitrobenzoyl)oxy-5-[(4-nitrobenzoyl)oxymethyl]-2-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] 4-nitrobenzoate

Registries:
    PubChem CID 4529561
    PubChem ID 117452