5-iodanyl-2-sulfo-benzene-1,3-dicarboxylic acid

Systemtic Name: 5-iodanyl-2-sulfo-benzene-1,3-dicarboxylic acid Openeye Name: 5-iodo-2-sulfo-benzene-1,3-dicarboxylic acid CAS Name: 5-iodo-2-sulfobenzene-1,3-dicarboxylic acid IUPAC Name: 5-iodo-2-sulfobenzene-1,3-dicarboxylic acid Traditional Name: 5-iodo-2-sulfo-isophthalic acid Formula: C8H5IO7S MolecularWeight: 372.09057

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1C(=O)O)S(=O)(=O)O)C(=O)O)I

Isomeric SMILES

C1=C(C=C(C(=C1C(=O)O)S(=O)(=O)O)C(=O)O)I

InChI

InChI=1S/C8H5IO7S/c9-3-1-4(7(10)11)6(17(14,15)16)5(2-3)8(12)13/h1-2H,(H,10,11)(H,12,13)(H,14,15,16)