calcium 2-methoxy-3-oxidanyl-benzenesulfonate

Systemtic Name: calcium 2-methoxy-3-oxidanyl-benzenesulfonate Openeye Name: calcium 3-hydroxy-2-methoxy-benzenesulfonate CAS Name: calcium 3-hydroxy-2-methoxybenzenesulfonate IUPAC Name: calcium 3-hydroxy-2-methoxybenzenesulfonate Traditional Name: calcium 3-hydroxy-2-methoxy-besylate Formula: C14H14CaO10S2 MolecularWeight: 446.46296

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=C1S(=O)(=O)[O-])O.COC1=C(C=CC=C1S(=O)(=O)[O-])O.[Ca+2]

Isomeric SMILES

COC1=C(C=CC=C1S(=O)(=O)[O-])O.COC1=C(C=CC=C1S(=O)(=O)[O-])O.[Ca+2]

InChI

InChI=1S/2C7H8O5S.Ca/c2*1-12-7-5(8)3-2-4-6(7)13(9,10)11;/h2*2-4,8H,1H3,(H,9,10,11);/q;;+2/p-2