2-[[3,4-bis(chloranyl)phenoxy]methyl]-3-ethanoylsulfanyl-propanoic acid

Systemtic Name: 2-[[3,4-bis(chloranyl)phenoxy]methyl]-3-ethanoylsulfanyl-propanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-(3,4-dichlorophenoxy)propanoic acid CAS Name: 2-[(acetylthio)methyl]-3-(3,4-dichlorophenoxy)propanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-(3,4-dichlorophenoxy)propanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-(3,4-dichlorophenoxy)propionic acid Formula: C12H12Cl2O4S MolecularWeight: 323.19228

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(COC1=CC(=C(C=C1)Cl)Cl)C(=O)O

Isomeric SMILES

CC(=O)SCC(COC1=CC(=C(C=C1)Cl)Cl)C(=O)O

InChI

InChI=1S/C12H12Cl2O4S/c1-7(15)19-6-8(12(16)17)5-18-9-2-3-10(13)11(14)4-9/h2-4,8H,5-6H2,1H3,(H,16,17)