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

Systemtic Name: [(2R,3R)-1-diphenylphosphoryl-2-methyl-hexan-3-yl] benzoate Openeye Name: [(1R)-1-[(1R)-2-diphenylphosphoryl-1-methyl-ethyl]butyl] benzoate CAS Name: benzoic acid [(2R,3R)-1-diphenylphosphoryl-2-methylhexan-3-yl] ester IUPAC Name: [(2R,3R)-1-diphenylphosphoryl-2-methylhexan-3-yl] benzoate Traditional Name: benzoic acid [(1R)-1-[(1R)-2-diphenylphosphoryl-1-methyl-ethyl]butyl] ester Formula: C26H29O3P MolecularWeight: 420.480421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29O3P/c1-3-13-25(29-26(27)22-14-7-4-8-15-22)21(2)20-30(28,23-16-9-5-10-17-23)24-18-11-6-12-19-24/h4-12,14-19,21,25H,3,13,20H2,1-2H3/t21-,25+/m0/s1