calcium 5-methanoyl-2-oxidanyl-benzenesulfonate

Systemtic Name: calcium 5-methanoyl-2-oxidanyl-benzenesulfonate Openeye Name: calcium 5-formyl-2-hydroxy-benzenesulfonate CAS Name: calcium 5-formyl-2-hydroxybenzenesulfonate IUPAC Name: calcium 5-formyl-2-hydroxybenzenesulfonate Traditional Name: calcium 5-formyl-2-hydroxy-besylate Formula: C14H10CaO10S2 MolecularWeight: 442.4312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=O)S(=O)(=O)[O-])O.C1=CC(=C(C=C1C=O)S(=O)(=O)[O-])O.[Ca+2]

Isomeric SMILES

C1=CC(=C(C=C1C=O)S(=O)(=O)[O-])O.C1=CC(=C(C=C1C=O)S(=O)(=O)[O-])O.[Ca+2]

InChI

InChI=1S/2C7H6O5S.Ca/c2*8-4-5-1-2-6(9)7(3-5)13(10,11)12;/h2*1-4,9H,(H,10,11,12);/q;;+2/p-2