[4-[(4-phenoxyphenyl)methylamino]phenyl] 3-(4-phosphanylphenyl)sulfonylbenzenesulfonate

Systemtic Name: [4-[(4-phenoxyphenyl)methylamino]phenyl] 3-(4-phosphanylphenyl)sulfonylbenzenesulfonate Openeye Name: [4-[(4-phenoxyphenyl)methylamino]phenyl] 3-(4-phosphanylphenyl)sulfonylbenzenesulfonate CAS Name: 3-(4-phosphinophenyl)sulfonylbenzenesulfonic acid [4-[(4-phenoxyphenyl)methylamino]phenyl] ester IUPAC Name: [4-[(4-phenoxyphenyl)methylamino]phenyl] 3-(4-phosphanylphenyl)sulfonylbenzenesulfonate Traditional Name: 3-(4-phosphinophenyl)sulfonylbenzenesulfonic acid [4-[(4-phenoxybenzyl)amino]phenyl] ester Formula: C31H26NO6PS2 MolecularWeight: 603.645001

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)CNC3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)S(=O)(=O)C5=CC=C(C=C5)P

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)CNC3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)S(=O)(=O)C5=CC=C(C=C5)P

InChI

InChI=1S/C31H26NO6PS2/c33-40(34,29-19-17-28(39)18-20-29)30-7-4-8-31(21-30)41(35,36)38-27-15-11-24(12-16-27)32-22-23-9-13-26(14-10-23)37-25-5-2-1-3-6-25/h1-21,32H,22,39H2