calcium 2,5-bis(oxidanyl)benzenesulfonate

Systemtic Name: calcium 2,5-bis(oxidanyl)benzenesulfonate Openeye Name: calcium 2,5-dihydroxybenzenesulfonate CAS Name: calcium 2,5-dihydroxybenzenesulfonate IUPAC Name: calcium 2,5-dihydroxybenzenesulfonate Traditional Name: calcium 2,5-dihydroxybesylate Formula: C12H10CaO10S2 MolecularWeight: 418.4098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H6O5S.Ca/c2*7-4-1-2-5(8)6(3-4)12(9,10)11;/h2*1-3,7-8H,(H,9,10,11);/q;;+2/p-2