calcium 4-(4-methylphenyl)sulfonyl-5-oxidanidyl-2-oxidanyl-benzenesulfonate

Systemtic Name: calcium 4-(4-methylphenyl)sulfonyl-5-oxidanidyl-2-oxidanyl-benzenesulfonate Openeye Name: calcium 2-hydroxy-5-oxido-4-(p-tolylsulfonyl)benzenesulfonate CAS Name: calcium 2-hydroxy-4-(4-methylphenyl)sulfonyl-5-oxidobenzenesulfonate IUPAC Name: calcium 2-hydroxy-4-(4-methylphenyl)sulfonyl-5-oxidobenzenesulfonate Traditional Name: calcium 2-hydroxy-5-oxido-4-tosyl-besylate Formula: C13H10CaO7S2 MolecularWeight: 382.4223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2[O-])S(=O)(=O)[O-])O.[Ca+2]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2[O-])S(=O)(=O)[O-])O.[Ca+2]

InChI

InChI=1S/C13H12O7S2.Ca/c1-8-2-4-9(5-3-8)21(16,17)12-6-11(15)13(7-10(12)14)22(18,19)20;/h2-7,14-15H,1H3,(H,18,19,20);/q;+2/p-2