potassium; benzene-1,3-dicarboxylic acid; 2,6-dicarboxybenzenesulfonate; 1H-naphthalen-1-ide-2,6-dicarboxylic acid

Systemtic Name: potassium; benzene-1,3-dicarboxylic acid; 2,6-dicarboxybenzenesulfonate; 1H-naphthalen-1-ide-2,6-dicarboxylic acid Openeye Name: potassium; 2,6-dicarboxybenzenesulfonate; isophthalic acid; 1H-naphthalen-1-ide-2,6-dicarboxylic acid CAS Name: potassium; benzene-1,3-dicarboxylic acid; 2,6-dicarboxybenzenesulfonate; 1H-naphthalen-1-ide-2,6-dicarboxylic acid IUPAC Name: potassium; benzene-1,3-dicarboxylic acid; 2,6-dicarboxybenzenesulfonate; 1H-naphthalen-1-ide-2,6-dicarboxylic acid Traditional Name: potassium; 2,6-dicarboxybesylate; isophthalic acid; 1H-naphthalen-1-ide-2,6-dicarboxylic acid Formula: C28H18KO15S- MolecularWeight: 665.59682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=C(C(=C1)C(=O)O)S(=O)(=O)[O-])C(=O)O.C1=CC2=[C-]C(=CC=C2C=C1C(=O)O)C(=O)O.[K+]

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=C(C(=C1)C(=O)O)S(=O)(=O)[O-])C(=O)O.C1=CC2=[C-]C(=CC=C2C=C1C(=O)O)C(=O)O.[K+]

InChI

InChI=1S/C12H7O4.C8H6O7S.C8H6O4.K/c13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9;9-7(10)4-2-1-3-5(8(11)12)6(4)16(13,14)15;9-7(10)5-2-1-3-6(4-5)8(11)12;/h1-5H,(H,13,14)(H,15,16);1-3H,(H,9,10)(H,11,12)(H,13,14,15);1-4H,(H,9,10)(H,11,12);/q-1;;;+1/p-1