2-(4-chloranyl-2-pentyl-phenoxy)ethanoic acid

Systemtic Name: 2-(4-chloranyl-2-pentyl-phenoxy)ethanoic acid Openeye Name: 2-(4-chloro-2-pentyl-phenoxy)acetic acid CAS Name: 2-(4-chloro-2-pentylphenoxy)acetic acid IUPAC Name: 2-(4-chloro-2-pentylphenoxy)acetic acid Traditional Name: 2-(2-amyl-4-chloro-phenoxy)acetic acid Formula: C13H17ClO3 MolecularWeight: 256.72528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=CC(=C1)Cl)OCC(=O)O

Isomeric SMILES

CCCCCC1=C(C=CC(=C1)Cl)OCC(=O)O

InChI

InChI=1S/C13H17ClO3/c1-2-3-4-5-10-8-11(14)6-7-12(10)17-9-13(15)16/h6-8H,2-5,9H2,1H3,(H,15,16)