4-[2,2-bis(diphenylphosphanylmethyl)-3-(4-sulfophenyl)propyl]benzenesulfonic acid

Systemtic Name: 4-[2,2-bis(diphenylphosphanylmethyl)-3-(4-sulfophenyl)propyl]benzenesulfonic acid Openeye Name: 4-[2,2-bis(diphenylphosphanylmethyl)-3-(4-sulfophenyl)propyl]benzenesulfonic acid CAS Name: 4-[2,2-bis(diphenylphosphinomethyl)-3-(4-sulfophenyl)propyl]benzenesulfonic acid IUPAC Name: 4-[2,2-bis(diphenylphosphanylmethyl)-3-(4-sulfophenyl)propyl]benzenesulfonic acid Traditional Name: 4-[2,2-bis(diphenylphosphinomethyl)-3-(4-sulfophenyl)propyl]besylic acid Formula: C41H38O6P2S2 MolecularWeight: 752.814342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(CC(CC2=CC=C(C=C2)S(=O)(=O)O)(CC3=CC=C(C=C3)S(=O)(=O)O)CP(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)P(CC(CC2=CC=C(C=C2)S(=O)(=O)O)(CC3=CC=C(C=C3)S(=O)(=O)O)CP(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C41H38O6P2S2/c42-50(43,44)39-25-21-33(22-26-39)29-41(30-34-23-27-40(28-24-34)51(45,46)47,31-48(35-13-5-1-6-14-35)36-15-7-2-8-16-36)32-49(37-17-9-3-10-18-37)38-19-11-4-12-20-38/h1-28H,29-32H2,(H,42,43,44)(H,45,46,47)