3-[(4-chlorophenyl)methylsulfanyl]propanoate

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]propanoate Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]propanoate CAS Name: 3-[(4-chlorophenyl)methylthio]propanoate IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]propanoate Traditional Name: 3-[(4-chlorobenzyl)thio]propionate Formula: C10H10ClO2S- MolecularWeight: 229.7032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCCC(=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CSCCC(=O)[O-])Cl

InChI

InChI=1S/C10H11ClO2S/c11-9-3-1-8(2-4-9)7-14-6-5-10(12)13/h1-4H,5-7H2,(H,12,13)/p-1