sodium 1-sulfocyclohexane-1,4-dicarboxylic acid

Systemtic Name: sodium 1-sulfocyclohexane-1,4-dicarboxylic acid Openeye Name: sodium 1-sulfocyclohexane-1,4-dicarboxylic acid CAS Name: sodium 1-sulfocyclohexane-1,4-dicarboxylic acid IUPAC Name: sodium 1-sulfocyclohexane-1,4-dicarboxylic acid Traditional Name: sodium 1-sulfocyclohexane-1,4-dicarboxylic acid Formula: C8H11NaO7S MolecularWeight: 274.22351

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[CH-]C1C(=O)O)(C(=O)O)S(=O)(=O)O.[Na+]

Isomeric SMILES

C1CC(C[CH-]C1C(=O)O)(C(=O)O)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C8H11O7S.Na/c9-6(10)5-1-3-8(4-2-5,7(11)12)16(13,14)15;/h1,5H,2-4H2,(H,9,10)(H,11,12)(H,13,14,15);/q-1;+1