2-[(2,4,6-trimethylphenyl)methylsulfanyl]ethanoic acid

Systemtic Name: 2-[(2,4,6-trimethylphenyl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(2,4,6-trimethylphenyl)methylsulfanyl]acetic acid CAS Name: 2-[(2,4,6-trimethylphenyl)methylthio]acetic acid IUPAC Name: 2-[(2,4,6-trimethylphenyl)methylsulfanyl]acetic acid Traditional Name: 2-[(2,4,6-trimethylbenzyl)thio]acetic acid Formula: C12H16O2S MolecularWeight: 224.31924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O2S/c1-8-4-9(2)11(10(3)5-8)6-15-7-12(13)14/h4-5H,6-7H2,1-3H3,(H,13,14)