methyl 2-[(5-ethanoyl-2-oxidanyl-phenyl)methylsulfanyl]ethanoate

Systemtic Name: methyl 2-[(5-ethanoyl-2-oxidanyl-phenyl)methylsulfanyl]ethanoate Openeye Name: methyl 2-[(5-acetyl-2-hydroxy-phenyl)methylsulfanyl]acetate CAS Name: 2-[(5-acetyl-2-hydroxyphenyl)methylthio]acetic acid methyl ester IUPAC Name: methyl 2-[(5-acetyl-2-hydroxyphenyl)methylsulfanyl]acetate Traditional Name: 2-[(5-acetyl-2-hydroxy-benzyl)thio]acetic acid methyl ester Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O4S/c1-8(13)9-3-4-11(14)10(5-9)6-17-7-12(15)16-2/h3-5,14H,6-7H2,1-2H3