5-(3,4-dimethylphenyl)sulfonyloxy-2-oxidanyl-benzenesulfonic acid; piperazine

Systemtic Name: 5-(3,4-dimethylphenyl)sulfonyloxy-2-oxidanyl-benzenesulfonic acid; piperazine Openeye Name: 5-(3,4-dimethylphenyl)sulfonyloxy-2-hydroxy-benzenesulfonic acid; piperazine CAS Name: 5-(3,4-dimethylphenyl)sulfonyloxy-2-hydroxybenzenesulfonic acid; piperazine IUPAC Name: 5-(3,4-dimethylphenyl)sulfonyloxy-2-hydroxybenzenesulfonic acid; piperazine Traditional Name: 5-(3,4-dimethylphenyl)sulfonyloxy-2-hydroxy-besylic acid; piperazine Formula: C18H24N2O7S2 MolecularWeight: 444.52236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14O7S2.C4H10N2/c1-9-3-5-12(7-10(9)2)23(19,20)21-11-4-6-13(15)14(8-11)22(16,17)18;1-2-6-4-3-5-1/h3-8,15H,1-2H3,(H,16,17,18);5-6H,1-4H2