3-chloranyl-2-(2-chloroethylsulfanyl)-4-(4-methoxyphenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 3-chloranyl-2-(2-chloroethylsulfanyl)-4-(4-methoxyphenyl)-4-oxidanylidene-butanoic acid Openeye Name: 3-chloro-2-(2-chloroethylsulfanyl)-4-(4-methoxyphenyl)-4-oxo-butanoic acid CAS Name: 3-chloro-2-(2-chloroethylthio)-4-(4-methoxyphenyl)-4-oxobutanoic acid IUPAC Name: 3-chloro-2-(2-chloroethylsulfanyl)-4-(4-methoxyphenyl)-4-oxobutanoic acid Traditional Name: 3-chloro-2-(2-chloroethylthio)-4-keto-4-(4-methoxyphenyl)butyric acid Formula: C13H14Cl2O4S MolecularWeight: 337.21886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14Cl2O4S/c1-19-9-4-2-8(3-5-9)11(16)10(15)12(13(17)18)20-7-6-14/h2-5,10,12H,6-7H2,1H3,(H,17,18)