2-(2,4,6-trimethylphenyl)butanoic acid

Systemtic Name: 2-(2,4,6-trimethylphenyl)butanoic acid Openeye Name: 2-(2,4,6-trimethylphenyl)butanoic acid CAS Name: 2-(2,4,6-trimethylphenyl)butanoic acid IUPAC Name: 2-(2,4,6-trimethylphenyl)butanoic acid Traditional Name: 2-mesitylbutyric acid Formula: C13H18O2 MolecularWeight: 206.28082

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=C(C=C1C)C)C)C(=O)O

Isomeric SMILES

CCC(C1=C(C=C(C=C1C)C)C)C(=O)O

InChI

InChI=1S/C13H18O2/c1-5-11(13(14)15)12-9(3)6-8(2)7-10(12)4/h6-7,11H,5H2,1-4H3,(H,14,15)