914222-99-4 Purity
96%
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Specification
The molecular formula is C14H18O4.
The synonyms are 914223-23-7, 3,5-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid, DTXSID90698314, and 2-(TERT-BUTOXYCARBONYL)-3,5-DIMETHYLBENZOICACID.
The molecular weight is 250.29 g/mol.
The IUPAC name is 3,5-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid.
The InChI is InChI=1S/C14H18O4/c1-8-6-9(2)11(10(7-8)12(15)16)13(17)18-14(3,4)5/h6-7H,1-5H3,(H,15,16).
The InChIKey is VTEODHYJQGQWQB-UHFFFAOYSA-N.
The canonical SMILES is CC1=CC(=C(C(=C1)C(=O)O)C(=O)OC(C)(C)C).
The CAS number is 914223-23-7.
Yes, it is a canonicalized compound.