2-[3-chloranyl-4-(2-methylbutanoyl)phenoxy]ethanoic acid

Systemtic Name: 2-[3-chloranyl-4-(2-methylbutanoyl)phenoxy]ethanoic acid Openeye Name: 2-[3-chloro-4-(2-methylbutanoyl)phenoxy]acetic acid CAS Name: 2-[3-chloro-4-(2-methyl-1-oxobutyl)phenoxy]acetic acid IUPAC Name: 2-[3-chloro-4-(2-methylbutanoyl)phenoxy]acetic acid Traditional Name: 2-[3-chloro-4-(2-methylbutanoyl)phenoxy]acetic acid Formula: C13H15ClO4 MolecularWeight: 270.7088

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)C1=C(C=C(C=C1)OCC(=O)O)Cl

Isomeric SMILES

CCC(C)C(=O)C1=C(C=C(C=C1)OCC(=O)O)Cl

InChI

InChI=1S/C13H15ClO4/c1-3-8(2)13(17)10-5-4-9(6-11(10)14)18-7-12(15)16/h4-6,8H,3,7H2,1-2H3,(H,15,16)