[(4S,5R)-5-(diphenylphosphorylmethyl)octan-4-yl] benzoate

Systemtic Name: [(4S,5R)-5-(diphenylphosphorylmethyl)octan-4-yl] benzoate Openeye Name: [(1S,2R)-2-(diphenylphosphorylmethyl)-1-propyl-pentyl] benzoate CAS Name: benzoic acid [(4S,5R)-5-(diphenylphosphorylmethyl)octan-4-yl] ester IUPAC Name: [(4S,5R)-5-(diphenylphosphorylmethyl)octan-4-yl] benzoate Traditional Name: benzoic acid [(1S,2R)-2-(diphenylphosphorylmethyl)-1-propyl-pentyl] ester Formula: C28H33O3P MolecularWeight: 448.533581

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CP(=O)(C1=CC=CC=C1)C2=CC=CC=C2)C(CCC)OC(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C28H33O3P/c1-3-14-24(27(15-4-2)31-28(29)23-16-8-5-9-17-23)22-32(30,25-18-10-6-11-19-25)26-20-12-7-13-21-26/h5-13,16-21,24,27H,3-4,14-15,22H2,1-2H3/t24-,27-/m0/s1