[(2R,3R)-1-diphenylphosphoryl-2-methyl-heptan-3-yl] benzoate

Systemtic Name: [(2R,3R)-1-diphenylphosphoryl-2-methyl-heptan-3-yl] benzoate Openeye Name: [(1R)-1-[(1R)-2-diphenylphosphoryl-1-methyl-ethyl]pentyl] benzoate CAS Name: benzoic acid [(2R,3R)-1-diphenylphosphoryl-2-methylheptan-3-yl] ester IUPAC Name: [(2R,3R)-1-diphenylphosphoryl-2-methylheptan-3-yl] benzoate Traditional Name: benzoic acid [(1R)-1-[(1R)-2-diphenylphosphoryl-1-methyl-ethyl]pentyl] ester Formula: C27H31O3P MolecularWeight: 434.507001

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C)CP(=O)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCC[C@H]([C@@H](C)CP(=O)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H31O3P/c1-3-4-20-26(30-27(28)23-14-8-5-9-15-23)22(2)21-31(29,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-19,22,26H,3-4,20-21H2,1-2H3/t22-,26+/m0/s1