5-(2,5-dimethylphenoxy)-2-ethyl-pentanoic acid

Systemtic Name: 5-(2,5-dimethylphenoxy)-2-ethyl-pentanoic acid Openeye Name: 5-(2,5-dimethylphenoxy)-2-ethyl-pentanoic acid CAS Name: 5-(2,5-dimethylphenoxy)-2-ethylpentanoic acid IUPAC Name: 5-(2,5-dimethylphenoxy)-2-ethylpentanoic acid Traditional Name: 5-(2,5-dimethylphenoxy)-2-ethyl-valeric acid Formula: C15H22O3 MolecularWeight: 250.33338

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCOC1=C(C=CC(=C1)C)C)C(=O)O

Isomeric SMILES

CCC(CCCOC1=C(C=CC(=C1)C)C)C(=O)O

InChI

InChI=1S/C15H22O3/c1-4-13(15(16)17)6-5-9-18-14-10-11(2)7-8-12(14)3/h7-8,10,13H,4-6,9H2,1-3H3,(H,16,17)