3-[(4-ethoxyphenyl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(4-ethoxyphenyl)methylsulfanyl]propanoic acid Openeye Name: 3-[(4-ethoxyphenyl)methylsulfanyl]propanoic acid CAS Name: 3-[(4-ethoxyphenyl)methylthio]propanoic acid IUPAC Name: 3-[(4-ethoxyphenyl)methylsulfanyl]propanoic acid Traditional Name: 3-[(4-ethoxybenzyl)thio]propionic acid Formula: C12H16O3S MolecularWeight: 240.31864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CSCCC(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CSCCC(=O)O

InChI

InChI=1S/C12H16O3S/c1-2-15-11-5-3-10(4-6-11)9-16-8-7-12(13)14/h3-6H,2,7-9H2,1H3,(H,13,14)