2-(4-ethanoylsulfanyl-2-methyl-phenoxy)-2-methyl-propanoic acid

Systemtic Name: 2-(4-ethanoylsulfanyl-2-methyl-phenoxy)-2-methyl-propanoic acid Openeye Name: 2-(4-acetylsulfanyl-2-methyl-phenoxy)-2-methyl-propanoic acid CAS Name: 2-[4-(acetylthio)-2-methylphenoxy]-2-methylpropanoic acid IUPAC Name: 2-(4-acetylsulfanyl-2-methylphenoxy)-2-methylpropanoic acid Traditional Name: 2-[4-(acetylthio)-2-methyl-phenoxy]-2-methyl-propionic acid Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O4S/c1-8-7-10(18-9(2)14)5-6-11(8)17-13(3,4)12(15)16/h5-7H,1-4H3,(H,15,16)