5-benzoyl-4-hydroxy-2-methoxy-benzenesulfonic acid hydrate

Molecular Formula: C₁₄H₁₄O₇S

InChI: InChI=1/C14H12O6S.H2O/c1-20-12-8-11(15)10(7-13(12)21(17,18)19)14(16)9-5-3-2-4-6-9;/h2-8,15H,1H3,(H,17,18,19);1H2/f/h17H;

InChIKey: InChIKey=MGLMEJLINAZYBG-MQOCCKKGCD
SMILES: COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O.O

Names:
    5-benzoyl-4-hydroxy-2-methoxy-benzenesulfonic acid hydrate

Registries:
    PubChem CID 2840109
    PubChem ID 3322655