2-(2-methyl-3-methylsulfanylcarbonyl-phenyl)ethanoic acid

Systemtic Name: 2-(2-methyl-3-methylsulfanylcarbonyl-phenyl)ethanoic acid Openeye Name: 2-(2-methyl-3-methylsulfanylcarbonyl-phenyl)acetic acid CAS Name: 2-[2-methyl-3-[(methylthio)-oxomethyl]phenyl]acetic acid IUPAC Name: 2-(2-methyl-3-methylsulfanylcarbonylphenyl)acetic acid Traditional Name: 2-[2-methyl-3-(methylthio)carbonyl-phenyl]acetic acid Formula: C11H12O3S MolecularWeight: 224.27618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1CC(=O)O)C(=O)SC

Isomeric SMILES

CC1=C(C=CC=C1CC(=O)O)C(=O)SC

InChI

InChI=1S/C11H12O3S/c1-7-8(6-10(12)13)4-3-5-9(7)11(14)15-2/h3-5H,6H2,1-2H3,(H,12,13)