5-(4-methylphenyl)sulfonyloxy-2-oxidanidyl-benzenesulfonate; piperazine-1,4-diium

Systemtic Name: 5-(4-methylphenyl)sulfonyloxy-2-oxidanidyl-benzenesulfonate; piperazine-1,4-diium Openeye Name: 2-oxido-5-(p-tolylsulfonyloxy)benzenesulfonate; piperazine-1,4-diium CAS Name: 5-(4-methylphenyl)sulfonyloxy-2-oxidobenzenesulfonate; piperazine-1,4-diium IUPAC Name: 5-(4-methylphenyl)sulfonyloxy-2-oxidobenzenesulfonate; piperazine-1,4-diium Traditional Name: 2-oxido-5-tosyloxy-besylate; piperazine-1,4-diium Formula: C17H22N2O7S2 MolecularWeight: 430.49578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)[O-])S(=O)(=O)[O-].C1C[NH2+]CC[NH2+]1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)[O-])S(=O)(=O)[O-].C1C[NH2+]CC[NH2+]1

InChI

InChI=1S/C13H12O7S2.C4H10N2/c1-9-2-5-11(6-3-9)22(18,19)20-10-4-7-12(14)13(8-10)21(15,16)17;1-2-6-4-3-5-1/h2-8,14H,1H3,(H,15,16,17);5-6H,1-4H2