3-[4-(2-chloroethylsulfanylmethyl)phenyl]propanoic acid

Systemtic Name: 3-[4-(2-chloroethylsulfanylmethyl)phenyl]propanoic acid Openeye Name: 3-[4-(2-chloroethylsulfanylmethyl)phenyl]propanoic acid CAS Name: 3-[4-[(2-chloroethylthio)methyl]phenyl]propanoic acid IUPAC Name: 3-[4-(2-chloroethylsulfanylmethyl)phenyl]propanoic acid Traditional Name: 3-[4-[(2-chloroethylthio)methyl]phenyl]propionic acid Formula: C12H15ClO2S MolecularWeight: 258.7643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)CSCCCl

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)CSCCCl

InChI

InChI=1S/C12H15ClO2S/c13-7-8-16-9-11-3-1-10(2-4-11)5-6-12(14)15/h1-4H,5-9H2,(H,14,15)