2-(2-ethylphenyl)sulfanylpropanedioic acid

Systemtic Name: 2-(2-ethylphenyl)sulfanylpropanedioic acid Openeye Name: 2-(2-ethylphenyl)sulfanylpropanedioic acid CAS Name: 2-[(2-ethylphenyl)thio]propanedioic acid IUPAC Name: 2-(2-ethylphenyl)sulfanylpropanedioic acid Traditional Name: 2-[(2-ethylphenyl)thio]malonic acid Formula: C11H12O4S MolecularWeight: 240.27558

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1SC(C(=O)O)C(=O)O

Isomeric SMILES

CCC1=CC=CC=C1SC(C(=O)O)C(=O)O

InChI

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