2,5-bis-(4-methylphenyl)sulfonyloxybenzenesulfonic acid; piperazine

Systemtic Name: 2,5-bis-(4-methylphenyl)sulfonyloxybenzenesulfonic acid; piperazine Openeye Name: 2,5-bis(p-tolylsulfonyloxy)benzenesulfonic acid; piperazine CAS Name: 2,5-bis-(4-methylphenyl)sulfonyloxybenzenesulfonic acid; piperazine IUPAC Name: 2,5-bis-(4-methylphenyl)sulfonyloxybenzenesulfonic acid; piperazine Traditional Name: 2,5-ditosyloxybesylic acid; piperazine Formula: C44H46N2O18S6 MolecularWeight: 1083.22864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)O.C1CNCCN1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)O.C1CNCCN1

InChI

InChI=1S/2C20H18O9S3.C4H10N2/c2*1-14-3-8-17(9-4-14)31(24,25)28-16-7-12-19(20(13-16)30(21,22)23)29-32(26,27)18-10-5-15(2)6-11-18;1-2-6-4-3-5-1/h2*3-13H,1-2H3,(H,21,22,23);5-6H,1-4H2