2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]propanoic acid

Systemtic Name: 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]propanoic acid Openeye Name: 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]propanoic acid CAS Name: 2-[2-(3,5-dimethylphenoxy)ethylthio]propanoic acid IUPAC Name: 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]propanoic acid Traditional Name: 2-[2-(3,5-dimethylphenoxy)ethylthio]propionic acid Formula: C13H18O3S MolecularWeight: 254.34522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O3S/c1-9-6-10(2)8-12(7-9)16-4-5-17-11(3)13(14)15/h6-8,11H,4-5H2,1-3H3,(H,14,15)