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

Systemtic Name: 2-(4-butanoyl-2-chloranyl-phenoxy)ethanoic acid Openeye Name: 2-(4-butanoyl-2-chloro-phenoxy)acetic acid CAS Name: 2-[2-chloro-4-(1-oxobutyl)phenoxy]acetic acid IUPAC Name: 2-(4-butanoyl-2-chlorophenoxy)acetic acid Traditional Name: 2-(4-butyryl-2-chloro-phenoxy)acetic acid Formula: C12H13ClO4 MolecularWeight: 256.68222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClO4/c1-2-3-10(14)8-4-5-11(9(13)6-8)17-7-12(15)16/h4-6H,2-3,7H2,1H3,(H,15,16)