4-(1,5,7-triazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-yl)benzoic acid hydrate

Molecular Formula: C₁₃H₁₁N₃O₃

InChI: InChI=1/C13H9N3O2.H2O/c17-12(18)10-4-2-9(3-5-10)11-8-16-7-1-6-14-13(16)15-11;/h1-8H,(H,17,18);1H2/f/h17H;

InChIKey: InChIKey=VESIGRFBGKFCAG-MQOCCKKGCQ
SMILES: C1=CN2C=C(N=C2N=C1)C3=CC=C(C=C3)C(=O)O.O

Names:
    4-(1,5,7-triazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-yl)benzoic acid hydrate

Registries:
    PubChem CID 2814724
    PubChem ID 3273363