2-(3-methoxycarbonyl-2-methyl-phenyl)sulfanylethanoic acid

Systemtic Name: 2-(3-methoxycarbonyl-2-methyl-phenyl)sulfanylethanoic acid Openeye Name: 2-(3-methoxycarbonyl-2-methyl-phenyl)sulfanylacetic acid CAS Name: 2-[(3-methoxycarbonyl-2-methylphenyl)thio]acetic acid IUPAC Name: 2-(3-methoxycarbonyl-2-methylphenyl)sulfanylacetic acid Traditional Name: 2-[(3-carbomethoxy-2-methyl-phenyl)thio]acetic acid Formula: C11H12O4S MolecularWeight: 240.27558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCC(=O)O)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1SCC(=O)O)C(=O)OC

InChI

InChI=1S/C11H12O4S/c1-7-8(11(14)15-2)4-3-5-9(7)16-6-10(12)13/h3-5H,6H2,1-2H3,(H,12,13)