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

Systemtic Name: 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]ethanoic acid Openeye Name: 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]acetic acid CAS Name: 2-[2-(3,5-dimethylphenoxy)ethylthio]acetic acid IUPAC Name: 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]acetic acid Traditional Name: 2-[2-(3,5-dimethylphenoxy)ethylthio]acetic acid Formula: C12H16O3S MolecularWeight: 240.31864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O3S/c1-9-5-10(2)7-11(6-9)15-3-4-16-8-12(13)14/h5-7H,3-4,8H2,1-2H3,(H,13,14)