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

Systemtic Name: 3-[2-(3,5-dimethylphenoxy)ethylsulfanyl]propanoic acid Openeye Name: 3-[2-(3,5-dimethylphenoxy)ethylsulfanyl]propanoic acid CAS Name: 3-[2-(3,5-dimethylphenoxy)ethylthio]propanoic acid IUPAC Name: 3-[2-(3,5-dimethylphenoxy)ethylsulfanyl]propanoic acid Traditional Name: 3-[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)OCCSCCC(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C13H18O3S/c1-10-7-11(2)9-12(8-10)16-4-6-17-5-3-13(14)15/h7-9H,3-6H2,1-2H3,(H,14,15)