diphenyl 4-[3-(2-hydroxyphenyl)piperazin-1-yl]benzene-1,3-disulfonate

Systemtic Name: diphenyl 4-[3-(2-hydroxyphenyl)piperazin-1-yl]benzene-1,3-disulfonate Openeye Name: diphenyl 4-[3-(2-hydroxyphenyl)piperazin-1-yl]benzene-1,3-disulfonate CAS Name: 4-[3-(2-hydroxyphenyl)-1-piperazinyl]benzene-1,3-disulfonic acid diphenyl ester IUPAC Name: diphenyl 4-[3-(2-hydroxyphenyl)piperazin-1-yl]benzene-1,3-disulfonate Traditional Name: 4-[3-(2-hydroxyphenyl)piperazino]benzene-1,3-disulfonic acid diphenyl ester Formula: C28H26N2O7S2 MolecularWeight: 566.64524

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)C2=CC=CC=C2O)C3=C(C=C(C=C3)S(=O)(=O)OC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

C1CN(CC(N1)C2=CC=CC=C2O)C3=C(C=C(C=C3)S(=O)(=O)OC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C28H26N2O7S2/c31-27-14-8-7-13-24(27)25-20-30(18-17-29-25)26-16-15-23(38(32,33)36-21-9-3-1-4-10-21)19-28(26)39(34,35)37-22-11-5-2-6-12-22/h1-16,19,25,29,31H,17-18,20H2