phenyl 4-bis(3-methylphenyl)phosphanyl-2-[bis(3-methylphenyl)phosphanylmethyl]pyrrolidine-1-sulfonate

Systemtic Name: phenyl 4-bis(3-methylphenyl)phosphanyl-2-[bis(3-methylphenyl)phosphanylmethyl]pyrrolidine-1-sulfonate Openeye Name: phenyl 4-(bis-m-tolylphosphanyl)-2-(bis-m-tolylphosphanylmethyl)pyrrolidine-1-sulfonate CAS Name: 4-bis(3-methylphenyl)phosphino-2-[bis(3-methylphenyl)phosphinomethyl]-1-pyrrolidinesulfonic acid phenyl ester IUPAC Name: phenyl 4-bis(3-methylphenyl)phosphanyl-2-[bis(3-methylphenyl)phosphanylmethyl]pyrrolidine-1-sulfonate Traditional Name: 4-(bis-m-tolylphosphino)-2-(bis-m-tolylphosphinomethyl)pyrrolidine-1-sulfonic acid phenyl ester Formula: C39H41NO3P2S MolecularWeight: 665.760262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)P(CC2CC(CN2S(=O)(=O)OC3=CC=CC=C3)P(C4=CC=CC(=C4)C)C5=CC=CC(=C5)C)C6=CC=CC(=C6)C

Isomeric SMILES

CC1=CC(=CC=C1)P(CC2CC(CN2S(=O)(=O)OC3=CC=CC=C3)P(C4=CC=CC(=C4)C)C5=CC=CC(=C5)C)C6=CC=CC(=C6)C

InChI

InChI=1S/C39H41NO3P2S/c1-29-12-8-18-35(22-29)44(36-19-9-13-30(2)23-36)28-33-26-39(27-40(33)46(41,42)43-34-16-6-5-7-17-34)45(37-20-10-14-31(3)24-37)38-21-11-15-32(4)25-38/h5-25,33,39H,26-28H2,1-4H3