potassium; sodium; 5-sulfobenzene-1,3-dicarboxylate; 2-sulfoterephthalate

Systemtic Name: potassium; sodium; 5-sulfobenzene-1,3-dicarboxylate; 2-sulfoterephthalate Openeye Name: potassium; sodium; 5-sulfobenzene-1,3-dicarboxylate; 2-sulfoterephthalate CAS Name: potassium; sodium; 5-sulfobenzene-1,3-dicarboxylate; 2-sulfoterephthalate IUPAC Name: potassium; sodium; 5-sulfobenzene-1,3-dicarboxylate; 2-sulfoterephthalate Traditional Name: potassium; sodium; 5-sulfoisophthalate; 2-sulfoterephthalate Formula: C16H8KNaO14S2-2 MolecularWeight: 550.44439

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C8H6O7S.K.Na/c9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15;9-7(10)4-1-2-5(8(11)12)6(3-4)16(13,14)15;;/h2*1-3H,(H,9,10)(H,11,12)(H,13,14,15);;/q;;2*+1/p-4