calcium; 4-(4-methylphenyl)sulfonyl-2,5-bis(oxidanyl)benzenesulfonate

Systemtic Name: calcium; 4-(4-methylphenyl)sulfonyl-2,5-bis(oxidanyl)benzenesulfonate Openeye Name: calcium; 2,5-dihydroxy-4-(p-tolylsulfonyl)benzenesulfonate CAS Name: calcium; 2,5-dihydroxy-4-(4-methylphenyl)sulfonylbenzenesulfonate IUPAC Name: calcium; 2,5-dihydroxy-4-(4-methylphenyl)sulfonylbenzenesulfonate Traditional Name: calcium; 2,5-dihydroxy-4-tosyl-besylate Formula: C13H11CaO7S2- MolecularWeight: 383.43024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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);/p-1