3-(4-chloranyl-3,5-dimethyl-phenoxy)butanoic acid

Systemtic Name: 3-(4-chloranyl-3,5-dimethyl-phenoxy)butanoic acid Openeye Name: 3-(4-chloro-3,5-dimethyl-phenoxy)butanoic acid CAS Name: 3-(4-chloro-3,5-dimethylphenoxy)butanoic acid IUPAC Name: 3-(4-chloro-3,5-dimethylphenoxy)butanoic acid Traditional Name: 3-(4-chloro-3,5-dimethyl-phenoxy)butyric acid Formula: C12H15ClO3 MolecularWeight: 242.6987

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC(C)CC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC(C)CC(=O)O

InChI

InChI=1S/C12H15ClO3/c1-7-4-10(5-8(2)12(7)13)16-9(3)6-11(14)15/h4-5,9H,6H2,1-3H3,(H,14,15)