sodium 4-(4-tert-butylphenyl)sulfonyl-2,5-bis(oxidanyl)benzenesulfonate

Systemtic Name: sodium 4-(4-tert-butylphenyl)sulfonyl-2,5-bis(oxidanyl)benzenesulfonate Openeye Name: sodium 4-(4-tert-butylphenyl)sulfonyl-2,5-dihydroxy-benzenesulfonate CAS Name: sodium 4-(4-tert-butylphenyl)sulfonyl-2,5-dihydroxybenzenesulfonate IUPAC Name: sodium 4-(4-tert-butylphenyl)sulfonyl-2,5-dihydroxybenzenesulfonate Traditional Name: sodium 4-(4-tert-butylphenyl)sulfonyl-2,5-dihydroxy-besylate Formula: C16H17NaO7S2 MolecularWeight: 408.42175

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C(=C2)O)S(=O)(=O)[O-])O.[Na+]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C(=C2)O)S(=O)(=O)[O-])O.[Na+]

InChI

InChI=1S/C16H18O7S2.Na/c1-16(2,3)10-4-6-11(7-5-10)24(19,20)14-8-13(18)15(9-12(14)17)25(21,22)23;/h4-9,17-18H,1-3H3,(H,21,22,23);/q;+1/p-1