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calcium 5-methanoyl-2-oxidanyl-benzenesulfonate

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: C7H5CaO5S+
MolecularWeight: 241.2546
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Descriptors Computed from Structure

Canonical SMILES:

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.[Ca+2]


InChI

InChI=1S/C7H6O5S.Ca/c8-4-5-1-2-6(9)7(3-5)13(10,11)12;/h1-4,9H,(H,10,11,12);/q;+2/p-1


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