2-(4-chloranyl-3-ethyl-phenoxy)-3-methyl-butanoic acid

Systemtic Name: 2-(4-chloranyl-3-ethyl-phenoxy)-3-methyl-butanoic acid Openeye Name: 2-(4-chloro-3-ethyl-phenoxy)-3-methyl-butanoic acid CAS Name: 2-(4-chloro-3-ethylphenoxy)-3-methylbutanoic acid IUPAC Name: 2-(4-chloro-3-ethylphenoxy)-3-methylbutanoic acid Traditional Name: 2-(4-chloro-3-ethyl-phenoxy)-3-methyl-butyric acid Formula: C13H17ClO3 MolecularWeight: 256.72528

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)OC(C(C)C)C(=O)O)Cl

Isomeric SMILES

CCC1=C(C=CC(=C1)OC(C(C)C)C(=O)O)Cl

InChI

InChI=1S/C13H17ClO3/c1-4-9-7-10(5-6-11(9)14)17-12(8(2)3)13(15)16/h5-8,12H,4H2,1-3H3,(H,15,16)