disodium 4-(diphenylphosphanylmethyl)-3-[2-(diphenylphosphanylmethyl)-5-sulfonato-phenyl]benzenesulfonate

Systemtic Name: disodium 4-(diphenylphosphanylmethyl)-3-[2-(diphenylphosphanylmethyl)-5-sulfonato-phenyl]benzenesulfonate Openeye Name: disodium 4-(diphenylphosphanylmethyl)-3-[2-(diphenylphosphanylmethyl)-5-sulfonato-phenyl]benzenesulfonate CAS Name: disodium 4-(diphenylphosphinomethyl)-3-[2-(diphenylphosphinomethyl)-5-sulfonatophenyl]benzenesulfonate IUPAC Name: disodium 4-(diphenylphosphanylmethyl)-3-[2-(diphenylphosphanylmethyl)-5-sulfonatophenyl]benzenesulfonate Traditional Name: disodium 4-(diphenylphosphinomethyl)-3-[2-(diphenylphosphinomethyl)-5-sulfonato-phenyl]besylate Formula: C38H30Na2O6P2S2 MolecularWeight: 754.698262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(CC2=C(C=C(C=C2)S(=O)(=O)[O-])C3=C(C=CC(=C3)S(=O)(=O)[O-])CP(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)P(CC2=C(C=C(C=C2)S(=O)(=O)[O-])C3=C(C=CC(=C3)S(=O)(=O)[O-])CP(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.[Na+].[Na+]

InChI

InChI=1S/C38H32O6P2S2.2Na/c39-47(40,41)35-23-21-29(27-45(31-13-5-1-6-14-31)32-15-7-2-8-16-32)37(25-35)38-26-36(48(42,43)44)24-22-30(38)28-46(33-17-9-3-10-18-33)34-19-11-4-12-20-34;;/h1-26H,27-28H2,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2