[(3R,4S)-5-(2,2-dimethylpropanoyloxy)-2,4-dimethyl-pent-1-en-3-yl] 2-diphenylphosphanylbenzoate

Systemtic Name: [(3R,4S)-5-(2,2-dimethylpropanoyloxy)-2,4-dimethyl-pent-1-en-3-yl] 2-diphenylphosphanylbenzoate Openeye Name: [(1R)-1-[(1S)-2-(2,2-dimethylpropanoyloxy)-1-methyl-ethyl]-2-methyl-allyl] 2-diphenylphosphanylbenzoate CAS Name: 2-diphenylphosphinobenzoic acid [(3R,4S)-5-(2,2-dimethyl-1-oxopropoxy)-2,4-dimethylpent-1-en-3-yl] ester IUPAC Name: [(3R,4S)-5-(2,2-dimethylpropanoyloxy)-2,4-dimethylpent-1-en-3-yl] 2-diphenylphosphanylbenzoate Traditional Name: 2-diphenylphosphinobenzoic acid [(1R)-2-methyl-1-[(1S)-1-methyl-2-pivaloyloxy-ethyl]allyl] ester Formula: C31H35O4P MolecularWeight: 502.580961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)C(C)(C)C)C(C(=C)C)OC(=O)C1=CC=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](COC(=O)C(C)(C)C)[C@H](C(=C)C)OC(=O)C1=CC=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C31H35O4P/c1-22(2)28(23(3)21-34-30(33)31(4,5)6)35-29(32)26-19-13-14-20-27(26)36(24-15-9-7-10-16-24)25-17-11-8-12-18-25/h7-20,23,28H,1,21H2,2-6H3/t23-,28-/m0/s1