4-oxo-4-(2,3,4,5,6-pentamethylphenyl)butanoic acid hydrate

Molecular Formula: C₁₅H₂₂O₄

InChI: InChI=1/C15H20O3.H2O/c1-8-9(2)11(4)15(12(5)10(8)3)13(16)6-7-14(17)18;/h6-7H2,1-5H3,(H,17,18);1H2/f/h17H;

InChIKey: InChIKey=SQJICNRBBZYPDU-MQOCCKKGCN
SMILES: CC1=C(C(=C(C(=C1C)C)C(=O)CCC(=O)O)C)C.O

Names:
    4-oxo-4-(2,3,4,5,6-pentamethylphenyl)butanoic acid hydrate

Registries:
    ChemSpider: InChIKey=SQJICNRBBZYPDU-MQOCCKKGCN
    PubChem CID 2806524
    PubChem ID 3264404