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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O3S/c1-9-3-4-10(2)11(7-9)15-5-6-16-8-12(13)14/h3-4,7H,5-6,8H2,1-2H3,(H,13,14)