3-[2-(4-methylphenoxy)ethylsulfanyl]propanoic acid

Systemtic Name: 3-[2-(4-methylphenoxy)ethylsulfanyl]propanoic acid Openeye Name: 3-[2-(4-methylphenoxy)ethylsulfanyl]propanoic acid CAS Name: 3-[2-(4-methylphenoxy)ethylthio]propanoic acid IUPAC Name: 3-[2-(4-methylphenoxy)ethylsulfanyl]propanoic acid Traditional Name: 3-[2-(4-methylphenoxy)ethylthio]propionic acid Formula: C12H16O3S MolecularWeight: 240.31864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCSCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)OCCSCCC(=O)O

InChI

InChI=1S/C12H16O3S/c1-10-2-4-11(5-3-10)15-7-9-16-8-6-12(13)14/h2-5H,6-9H2,1H3,(H,13,14)