2-(2-sulfanylphenyl)propanedioic acid

Systemtic Name: 2-(2-sulfanylphenyl)propanedioic acid Openeye Name: 2-(2-sulfanylphenyl)propanedioic acid CAS Name: 2-(2-mercaptophenyl)propanedioic acid IUPAC Name: 2-(2-sulfanylphenyl)propanedioic acid Traditional Name: 2-(2-mercaptophenyl)malonic acid Formula: C9H8O4S MolecularWeight: 212.22242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(C(=O)O)C(=O)O)S

Isomeric SMILES

C1=CC=C(C(=C1)C(C(=O)O)C(=O)O)S

InChI

InChI=1S/C9H8O4S/c10-8(11)7(9(12)13)5-3-1-2-4-6(5)14/h1-4,7,14H,(H,10,11)(H,12,13)