[2,5-bis(diphenylphosphanyl)-2,5-dimethyl-4-(phenylcarbonyloxy)hexan-3-yl] benzoate

Systemtic Name: [2,5-bis(diphenylphosphanyl)-2,5-dimethyl-4-(phenylcarbonyloxy)hexan-3-yl] benzoate Openeye Name: [2-benzoyloxy-3-diphenylphosphanyl-1-(1-diphenylphosphanyl-1-methyl-ethyl)-3-methyl-butyl] benzoate CAS Name: benzoic acid [4-benzoyloxy-2,5-bis(diphenylphosphino)-2,5-dimethylhexan-3-yl] ester IUPAC Name: [4-benzoyloxy-2,5-bis(diphenylphosphanyl)-2,5-dimethylhexan-3-yl] benzoate Traditional Name: benzoic acid [2-benzoyloxy-3-diphenylphosphino-1-(1-diphenylphosphino-1-methyl-ethyl)-3-methyl-butyl] ester Formula: C46H44O4P2 MolecularWeight: 722.786682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(C(C)(C)P(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)P(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC(C)(C(C(C(C)(C)P(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)P(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C46H44O4P2/c1-45(2,51(37-27-15-7-16-28-37)38-29-17-8-18-30-38)41(49-43(47)35-23-11-5-12-24-35)42(50-44(48)36-25-13-6-14-26-36)46(3,4)52(39-31-19-9-20-32-39)40-33-21-10-22-34-40/h5-34,41-42H,1-4H3