3-diphenylphosphoryl-4-[2-[(2-diphenylphosphoryl-4-sulfo-phenyl)amino]ethylamino]benzenesulfonic acid

Systemtic Name: 3-diphenylphosphoryl-4-[2-[(2-diphenylphosphoryl-4-sulfo-phenyl)amino]ethylamino]benzenesulfonic acid Openeye Name: 3-diphenylphosphoryl-4-[2-(2-diphenylphosphoryl-4-sulfo-anilino)ethylamino]benzenesulfonic acid CAS Name: 3-diphenylphosphoryl-4-[2-(2-diphenylphosphoryl-4-sulfoanilino)ethylamino]benzenesulfonic acid IUPAC Name: 3-diphenylphosphoryl-4-[2-(2-diphenylphosphoryl-4-sulfoanilino)ethylamino]benzenesulfonic acid Traditional Name: 3-diphenylphosphoryl-4-[2-(2-diphenylphosphoryl-4-sulfo-anilino)ethylamino]besylic acid Formula: C38H34N2O8P2S2 MolecularWeight: 772.762682

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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)NCCNC4=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)NCCNC4=C(C=C(C=C4)S(=O)(=O)O)P(=O)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C38H34N2O8P2S2/c41-49(29-13-5-1-6-14-29,30-15-7-2-8-16-30)37-27-33(51(43,44)45)21-23-35(37)39-25-26-40-36-24-22-34(52(46,47)48)28-38(36)50(42,31-17-9-3-10-18-31)32-19-11-4-12-20-32/h1-24,27-28,39-40H,25-26H2,(H,43,44,45)(H,46,47,48)