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

ChemSpider ID: 2085025
Molecular Formula: C₁₅H₂₂O₄
Average mass: 266.332794 Da
Monoisotopic mass: 266.151794 Da
Systematic name

4-Oxo-4-(pentamethylphenyl)butanoic acid hydrate (1:1)
SMILES and InChIs

SMILES:

O=C(O)CCC(=O)c1c(c(c(c(c1C)C)C)C)C.O Copied

Std. InChI:

InChI=1S/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 Copied

Std. InChIKey:

SQJICNRBBZYPDU-UHFFFAOYSA-N Copied
Cite this record
CSID:2085025, http://www.chemspider.com/Chemical-Structure.2085025.html (accessed 14:29, May 25, 2013) Copied

Names and Identifiers

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

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