2-(3-sulfophenyl)propanedioic acid

Systemtic Name: 2-(3-sulfophenyl)propanedioic acid Openeye Name: 2-(3-sulfophenyl)propanedioic acid CAS Name: 2-(3-sulfophenyl)propanedioic acid IUPAC Name: 2-(3-sulfophenyl)propanedioic acid Traditional Name: 2-(3-sulfophenyl)malonic acid Formula: C9H8O7S MolecularWeight: 260.22062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8O7S/c10-8(11)7(9(12)13)5-2-1-3-6(4-5)17(14,15)16/h1-4,7H,(H,10,11)(H,12,13)(H,14,15,16)