4-[3,5-bis(chloranyl)-4-methyl-phenyl]-2-ethoxysulfanylcarbonylsulfanyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[3,5-bis(chloranyl)-4-methyl-phenyl]-2-ethoxysulfanylcarbonylsulfanyl-4-oxidanylidene-butanoic acid Openeye Name: 4-(3,5-dichloro-4-methyl-phenyl)-2-ethoxysulfanylcarbonylsulfanyl-4-oxo-butanoic acid CAS Name: 4-(3,5-dichloro-4-methylphenyl)-2-[[(ethoxythio)-oxomethyl]thio]-4-oxobutanoic acid IUPAC Name: 4-(3,5-dichloro-4-methylphenyl)-2-ethoxysulfanylcarbonylsulfanyl-4-oxobutanoic acid Traditional Name: 4-(3,5-dichloro-4-methyl-phenyl)-2-[(ethoxythio)carbonylthio]-4-keto-butyric acid Formula: C14H14Cl2O5S2 MolecularWeight: 397.29396

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Descriptors Computed from Structure

Canonical SMILES:

CCOSC(=O)SC(CC(=O)C1=CC(=C(C(=C1)Cl)C)Cl)C(=O)O

Isomeric SMILES

CCOSC(=O)SC(CC(=O)C1=CC(=C(C(=C1)Cl)C)Cl)C(=O)O

InChI

InChI=1S/C14H14Cl2O5S2/c1-3-21-23-14(20)22-12(13(18)19)6-11(17)8-4-9(15)7(2)10(16)5-8/h4-5,12H,3,6H2,1-2H3,(H,18,19)