methyl 2-[(3,5-dimethyl-2-oxidanyl-phenyl)methylsulfanyl]ethanoate

Systemtic Name: methyl 2-[(3,5-dimethyl-2-oxidanyl-phenyl)methylsulfanyl]ethanoate Openeye Name: methyl 2-[(2-hydroxy-3,5-dimethyl-phenyl)methylsulfanyl]acetate CAS Name: 2-[(2-hydroxy-3,5-dimethylphenyl)methylthio]acetic acid methyl ester IUPAC Name: methyl 2-[(2-hydroxy-3,5-dimethylphenyl)methylsulfanyl]acetate Traditional Name: 2-[(2-hydroxy-3,5-dimethyl-benzyl)thio]acetic acid methyl ester Formula: C12H16O3S MolecularWeight: 240.31864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O3S/c1-8-4-9(2)12(14)10(5-8)6-16-7-11(13)15-3/h4-5,14H,6-7H2,1-3H3