3-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-(4-chlorophenyl)-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]propionic acid Formula: C11H11ClO3S MolecularWeight: 258.72124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CSCCC(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)CSCCC(=O)O)Cl

InChI

InChI=1S/C11H11ClO3S/c12-9-3-1-8(2-4-9)10(13)7-16-6-5-11(14)15/h1-4H,5-7H2,(H,14,15)