Caffeine benzoate

Molecular Formula: C₁₅H₁₆N₄O₄

InChI: InChI=1/C8H10N4O2.C7H6O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;8-7(9)6-4-2-1-3-5-6/h4H,1-3H3;1-5H,(H,8,9)/f/h;8H

InChIKey: InChIKey=VXXKVQICUHMECR-JBXJCYQCCN
SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2C)C.C1=CC=C(C=C1)C(=O)O

Names:
    benzoic acid; 1,3,7-trimethylpurine-2,6-dione
    Caffeine benzoate
    EINECS 227-257-3
    5743-17-9
    8000-95-1

Registries:
    PubChem CID 64120
    PubChem ID 206164