(2S)-2-(3,4-dichlorophenyl)sulfanylpropanoic acid

Systemtic Name: (2S)-2-(3,4-dichlorophenyl)sulfanylpropanoic acid Openeye Name: (2S)-2-(3,4-dichlorophenyl)sulfanylpropanoic acid CAS Name: (2S)-2-[(3,4-dichlorophenyl)thio]propanoic acid IUPAC Name: (2S)-2-(3,4-dichlorophenyl)sulfanylpropanoic acid Traditional Name: (2S)-2-[(3,4-dichlorophenyl)thio]propionic acid Formula: C9H8Cl2O2S MolecularWeight: 251.12962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=CC(=C(C=C1)Cl)Cl

Isomeric SMILES

C[C@@H](C(=O)O)SC1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C9H8Cl2O2S/c1-5(9(12)13)14-6-2-3-7(10)8(11)4-6/h2-5H,1H3,(H,12,13)/t5-/m0/s1