disodium 3-diphenylphosphoryl-4-[2-(2-diphenylphosphoryl-4-sulfonato-phenoxy)ethoxy]benzenesulfonate

Systemtic Name: disodium 3-diphenylphosphoryl-4-[2-(2-diphenylphosphoryl-4-sulfonato-phenoxy)ethoxy]benzenesulfonate Openeye Name: disodium 3-diphenylphosphoryl-4-[2-(2-diphenylphosphoryl-4-sulfonato-phenoxy)ethoxy]benzenesulfonate CAS Name: disodium 3-diphenylphosphoryl-4-[2-(2-diphenylphosphoryl-4-sulfonatophenoxy)ethoxy]benzenesulfonate IUPAC Name: disodium 3-diphenylphosphoryl-4-[2-(2-diphenylphosphoryl-4-sulfonatophenoxy)ethoxy]benzenesulfonate Traditional Name: disodium 3-diphenylphosphoryl-4-[2-(2-diphenylphosphoryl-4-sulfonato-phenoxy)ethoxy]besylate Formula: C38H30Na2O10P2S2 MolecularWeight: 818.695862

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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-])OCCOC4=C(C=C(C=C4)S(=O)(=O)[O-])P(=O)(C5=CC=CC=C5)C6=CC=CC=C6.[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=C(C=CC(=C3)S(=O)(=O)[O-])OCCOC4=C(C=C(C=C4)S(=O)(=O)[O-])P(=O)(C5=CC=CC=C5)C6=CC=CC=C6.[Na+].[Na+]

InChI

InChI=1S/C38H32O10P2S2.2Na/c39-49(29-13-5-1-6-14-29,30-15-7-2-8-16-30)37-27-33(51(41,42)43)21-23-35(37)47-25-26-48-36-24-22-34(52(44,45)46)28-38(36)50(40,31-17-9-3-10-18-31)32-19-11-4-12-20-32;;/h1-24,27-28H,25-26H2,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2