2-[(2,4,6-trimethylphenyl)methylsulfanyl]ethanoate

Systemtic Name: 2-[(2,4,6-trimethylphenyl)methylsulfanyl]ethanoate Openeye Name: 2-[(2,4,6-trimethylphenyl)methylsulfanyl]acetate CAS Name: 2-[(2,4,6-trimethylphenyl)methylthio]acetate IUPAC Name: 2-[(2,4,6-trimethylphenyl)methylsulfanyl]acetate Traditional Name: 2-[(2,4,6-trimethylbenzyl)thio]acetate Formula: C12H15O2S- MolecularWeight: 223.3113

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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)/p-1