2-(2,5-dimethylphenoxy)pentanoic acid

Systemtic Name: 2-(2,5-dimethylphenoxy)pentanoic acid Openeye Name: 2-(2,5-dimethylphenoxy)pentanoic acid CAS Name: 2-(2,5-dimethylphenoxy)pentanoic acid IUPAC Name: 2-(2,5-dimethylphenoxy)pentanoic acid Traditional Name: 2-(2,5-dimethylphenoxy)valeric acid Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)OC1=C(C=CC(=C1)C)C

Isomeric SMILES

CCCC(C(=O)O)OC1=C(C=CC(=C1)C)C

InChI

InChI=1S/C13H18O3/c1-4-5-11(13(14)15)16-12-8-9(2)6-7-10(12)3/h6-8,11H,4-5H2,1-3H3,(H,14,15)