sodium 4-(4-methylphenyl)sulfonyloxybenzenesulfinate

Systemtic Name: sodium 4-(4-methylphenyl)sulfonyloxybenzenesulfinate Openeye Name: sodium 4-(p-tolylsulfonyloxy)benzenesulfinate CAS Name: sodium 4-(4-methylphenyl)sulfonyloxybenzenesulfinate IUPAC Name: sodium 4-(4-methylphenyl)sulfonyloxybenzenesulfinate Traditional Name: sodium 4-tosyloxybenzenesulfinate Formula: C13H11NaO5S2 MolecularWeight: 334.34321

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)S(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)S(=O)[O-].[Na+]

InChI

InChI=1S/C13H12O5S2.Na/c1-10-2-8-13(9-3-10)20(16,17)18-11-4-6-12(7-5-11)19(14)15;/h2-9H,1H3,(H,14,15);/q;+1/p-1