2-[2,3-bis(chloranyl)-4-(2-methylsulfanylbutanoyl)phenoxy]ethanoic acid

Systemtic Name: 2-[2,3-bis(chloranyl)-4-(2-methylsulfanylbutanoyl)phenoxy]ethanoic acid Openeye Name: 2-[2,3-dichloro-4-(2-methylsulfanylbutanoyl)phenoxy]acetic acid CAS Name: 2-[2,3-dichloro-4-[2-(methylthio)-1-oxobutyl]phenoxy]acetic acid IUPAC Name: 2-[2,3-dichloro-4-(2-methylsulfanylbutanoyl)phenoxy]acetic acid Traditional Name: 2-[2,3-dichloro-4-[2-(methylthio)butanoyl]phenoxy]acetic acid Formula: C13H14Cl2O4S MolecularWeight: 337.21886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14Cl2O4S/c1-3-9(20-2)13(18)7-4-5-8(12(15)11(7)14)19-6-10(16)17/h4-5,9H,3,6H2,1-2H3,(H,16,17)