4-(2-chloranyl-4-methylsulfanyl-phenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(2-chloranyl-4-methylsulfanyl-phenyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-chloro-4-methylsulfanyl-phenyl)-4-oxo-butanoic acid CAS Name: 4-[2-chloro-4-(methylthio)phenyl]-4-oxobutanoic acid IUPAC Name: 4-(2-chloro-4-methylsulfanylphenyl)-4-oxobutanoic acid Traditional Name: 4-[2-chloro-4-(methylthio)phenyl]-4-keto-butyric acid Formula: C11H11ClO3S MolecularWeight: 258.72124

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)C(=O)CCC(=O)O)Cl

Isomeric SMILES

CSC1=CC(=C(C=C1)C(=O)CCC(=O)O)Cl

InChI

InChI=1S/C11H11ClO3S/c1-16-7-2-3-8(9(12)6-7)10(13)4-5-11(14)15/h2-3,6H,4-5H2,1H3,(H,14,15)