3-tert-butyl-2-oxidanyl-5-(phenylcarbonyloxy)benzenesulfonic acid; piperazine

Systemtic Name: 3-tert-butyl-2-oxidanyl-5-(phenylcarbonyloxy)benzenesulfonic acid; piperazine Openeye Name: 5-benzoyloxy-3-tert-butyl-2-hydroxy-benzenesulfonic acid; piperazine CAS Name: 5-benzoyloxy-3-tert-butyl-2-hydroxybenzenesulfonic acid; piperazine IUPAC Name: 5-benzoyloxy-3-tert-butyl-2-hydroxybenzenesulfonic acid; piperazine Traditional Name: 5-benzoyloxy-3-tert-butyl-2-hydroxy-besylic acid; piperazine Formula: C38H46N2O12S2 MolecularWeight: 786.90804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)S(=O)(=O)O)OC(=O)C2=CC=CC=C2.CC(C)(C)C1=CC(=CC(=C1O)S(=O)(=O)O)OC(=O)C2=CC=CC=C2.C1CNCCN1

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)S(=O)(=O)O)OC(=O)C2=CC=CC=C2.CC(C)(C)C1=CC(=CC(=C1O)S(=O)(=O)O)OC(=O)C2=CC=CC=C2.C1CNCCN1

InChI

InChI=1S/2C17H18O6S.C4H10N2/c2*1-17(2,3)13-9-12(10-14(15(13)18)24(20,21)22)23-16(19)11-7-5-4-6-8-11;1-2-6-4-3-5-1/h2*4-10,18H,1-3H3,(H,20,21,22);5-6H,1-4H2