5-(4-chlorophenyl)carbonyloxy-2-oxidanyl-benzenesulfonic acid; piperazine

Systemtic Name: 5-(4-chlorophenyl)carbonyloxy-2-oxidanyl-benzenesulfonic acid; piperazine Openeye Name: 5-(4-chlorobenzoyl)oxy-2-hydroxy-benzenesulfonic acid; piperazine CAS Name: 5-[(4-chlorophenyl)-oxomethoxy]-2-hydroxybenzenesulfonic acid; piperazine IUPAC Name: 5-(4-chlorobenzoyl)oxy-2-hydroxybenzenesulfonic acid; piperazine Traditional Name: 5-(4-chlorobenzoyl)oxy-2-hydroxy-besylic acid; piperazine Formula: C30H28Cl2N2O12S2 MolecularWeight: 743.58552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN1.C1=CC(=CC=C1C(=O)OC2=CC(=C(C=C2)O)S(=O)(=O)O)Cl.C1=CC(=CC=C1C(=O)OC2=CC(=C(C=C2)O)S(=O)(=O)O)Cl

Isomeric SMILES

C1CNCCN1.C1=CC(=CC=C1C(=O)OC2=CC(=C(C=C2)O)S(=O)(=O)O)Cl.C1=CC(=CC=C1C(=O)OC2=CC(=C(C=C2)O)S(=O)(=O)O)Cl

InChI

InChI=1S/2C13H9ClO6S.C4H10N2/c2*14-9-3-1-8(2-4-9)13(16)20-10-5-6-11(15)12(7-10)21(17,18)19;1-2-6-4-3-5-1/h2*1-7,15H,(H,17,18,19);5-6H,1-4H2