4-(diphenylphosphanylmethyl)-3-[2-(diphenylphosphanylmethyl)-5-sulfo-phenyl]benzenesulfonic acid

Systemtic Name: 4-(diphenylphosphanylmethyl)-3-[2-(diphenylphosphanylmethyl)-5-sulfo-phenyl]benzenesulfonic acid Openeye Name: 4-(diphenylphosphanylmethyl)-3-[2-(diphenylphosphanylmethyl)-5-sulfo-phenyl]benzenesulfonic acid CAS Name: 4-(diphenylphosphinomethyl)-3-[2-(diphenylphosphinomethyl)-5-sulfophenyl]benzenesulfonic acid IUPAC Name: 4-(diphenylphosphanylmethyl)-3-[2-(diphenylphosphanylmethyl)-5-sulfophenyl]benzenesulfonic acid Traditional Name: 4-(diphenylphosphinomethyl)-3-[2-(diphenylphosphinomethyl)-5-sulfo-phenyl]besylic acid Formula: C38H32O6P2S2 MolecularWeight: 710.734602

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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

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

InChI

InChI=1S/C38H32O6P2S2/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)