sodium 5-sulfocyclohexane-1,3-dicarboxylic acid

Systemtic Name: sodium 5-sulfocyclohexane-1,3-dicarboxylic acid Openeye Name: sodium 5-sulfocyclohexane-1,3-dicarboxylic acid CAS Name: sodium 5-sulfocyclohexane-1,3-dicarboxylic acid IUPAC Name: sodium 5-sulfocyclohexane-1,3-dicarboxylic acid Traditional Name: sodium 5-sulfocyclohexane-1,3-dicarboxylic acid Formula: C8H12NaO7S+ MolecularWeight: 275.23145

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(CC1C(=O)O)S(=O)(=O)O)C(=O)O.[Na+]

Isomeric SMILES

C1C(CC(CC1C(=O)O)S(=O)(=O)O)C(=O)O.[Na+]

InChI

InChI=1S/C8H12O7S.Na/c9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15;/h4-6H,1-3H2,(H,9,10)(H,11,12)(H,13,14,15);/q;+1