3-diphenylphosphoryl-4-[2-[2-[(2-diphenylphosphoryl-4-sulfonato-phenyl)amino]ethoxy]ethylamino]benzenesulfonate

Systemtic Name: 3-diphenylphosphoryl-4-[2-[2-[(2-diphenylphosphoryl-4-sulfonato-phenyl)amino]ethoxy]ethylamino]benzenesulfonate Openeye Name: 3-diphenylphosphoryl-4-[2-[2-(2-diphenylphosphoryl-4-sulfonato-anilino)ethoxy]ethylamino]benzenesulfonate CAS Name: 3-diphenylphosphoryl-4-[2-[2-(2-diphenylphosphoryl-4-sulfonatoanilino)ethoxy]ethylamino]benzenesulfonate IUPAC Name: 3-diphenylphosphoryl-4-[2-[2-(2-diphenylphosphoryl-4-sulfonatoanilino)ethoxy]ethylamino]benzenesulfonate Traditional Name: 3-diphenylphosphoryl-4-[2-[2-(2-diphenylphosphoryl-4-sulfonato-anilino)ethoxy]ethylamino]besylate Formula: C40H36N2O9P2S2-2 MolecularWeight: 814.799362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=C(C=CC(=C3)S(=O)(=O)[O-])NCCOCCNC4=C(C=C(C=C4)S(=O)(=O)[O-])P(=O)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=C(C=CC(=C3)S(=O)(=O)[O-])NCCOCCNC4=C(C=C(C=C4)S(=O)(=O)[O-])P(=O)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C40H38N2O9P2S2/c43-52(31-13-5-1-6-14-31,32-15-7-2-8-16-32)39-29-35(54(45,46)47)21-23-37(39)41-25-27-51-28-26-42-38-24-22-36(55(48,49)50)30-40(38)53(44,33-17-9-3-10-18-33)34-19-11-4-12-20-34/h1-24,29-30,41-42H,25-28H2,(H,45,46,47)(H,48,49,50)/p-2