2-(2-methylsulfanylphenyl)propanedioic acid

Systemtic Name: 2-(2-methylsulfanylphenyl)propanedioic acid Openeye Name: 2-(2-methylsulfanylphenyl)propanedioic acid CAS Name: 2-[2-(methylthio)phenyl]propanedioic acid IUPAC Name: 2-(2-methylsulfanylphenyl)propanedioic acid Traditional Name: 2-[2-(methylthio)phenyl]malonic acid Formula: C10H10O4S MolecularWeight: 226.249

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(C(=O)O)C(=O)O

Isomeric SMILES

CSC1=CC=CC=C1C(C(=O)O)C(=O)O

InChI

InChI=1S/C10H10O4S/c1-15-7-5-3-2-4-6(7)8(9(11)12)10(13)14/h2-5,8H,1H3,(H,11,12)(H,13,14)