calcium 2-oxidanidyloxysulfonyl-5-oxidanyl-benzenesulfonate

Systemtic Name: calcium 2-oxidanidyloxysulfonyl-5-oxidanyl-benzenesulfonate Openeye Name: calcium 5-hydroxy-2-oxidooxysulfonyl-benzenesulfonate CAS Name: calcium 5-hydroxy-2-oxidooxysulfonylbenzenesulfonate IUPAC Name: calcium 5-hydroxy-2-oxidooxysulfonylbenzenesulfonate Traditional Name: calcium 5-hydroxy-2-oxidooxysulfonyl-besylate Formula: C6H4CaO8S2 MolecularWeight: 308.29916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1O)S(=O)(=O)[O-])S(=O)(=O)O[O-].[Ca+2]

Isomeric SMILES

C1=CC(=C(C=C1O)S(=O)(=O)[O-])S(=O)(=O)O[O-].[Ca+2]

InChI

InChI=1S/C6H6O8S2.Ca/c7-4-1-2-5(16(12,13)14-8)6(3-4)15(9,10)11;/h1-3,7-8H,(H,9,10,11);/q;+2/p-2