2-[(3,5-dimethylphenyl)methylsulfanyl]ethanoic acid

Systemtic Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]acetic acid CAS Name: 2-[(3,5-dimethylphenyl)methylthio]acetic acid IUPAC Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]acetic acid Traditional Name: 2-[(3,5-dimethylbenzyl)thio]acetic acid Formula: C11H14O2S MolecularWeight: 210.29266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14O2S/c1-8-3-9(2)5-10(4-8)6-14-7-11(12)13/h3-5H,6-7H2,1-2H3,(H,12,13)