calcium 2,5-bis(oxidanyl)benzenesulfonate hydrate

Systemtic Name: calcium 2,5-bis(oxidanyl)benzenesulfonate hydrate Openeye Name: calcium 2,5-dihydroxybenzenesulfonate hydrate CAS Name: calcium 2,5-dihydroxybenzenesulfonate hydrate IUPAC Name: calcium 2,5-dihydroxybenzenesulfonate hydrate Traditional Name: calcium 2,5-dihydroxybesylate hydrate Formula: C12H12CaO11S2 MolecularWeight: 436.42508

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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.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.O.[Ca+2]

InChI

InChI=1S/2C6H6O5S.Ca.H2O/c2*7-4-1-2-5(8)6(3-4)12(9,10)11;;/h2*1-3,7-8H,(H,9,10,11);;1H2/q;;+2;/p-2