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

Systemtic Name: 3-[2-(4-ethoxyphenoxy)ethylsulfanyl]propanoic acid Openeye Name: 3-[2-(4-ethoxyphenoxy)ethylsulfanyl]propanoic acid CAS Name: 3-[2-(4-ethoxyphenoxy)ethylthio]propanoic acid IUPAC Name: 3-[2-(4-ethoxyphenoxy)ethylsulfanyl]propanoic acid Traditional Name: 3-[2-(4-ethoxyphenoxy)ethylthio]propionic acid Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O4S/c1-2-16-11-3-5-12(6-4-11)17-8-10-18-9-7-13(14)15/h3-6H,2,7-10H2,1H3,(H,14,15)