[(E,3S,4R)-9-chloranyl-3,5-dimethyl-1-oxidanylidene-non-5-en-4-yl] 2-diphenylphosphanylbenzoate

Systemtic Name: [(E,3S,4R)-9-chloranyl-3,5-dimethyl-1-oxidanylidene-non-5-en-4-yl] 2-diphenylphosphanylbenzoate Openeye Name: [(E,1R)-6-chloro-2-methyl-1-[(1S)-1-methyl-3-oxo-propyl]hex-2-enyl] 2-diphenylphosphanylbenzoate CAS Name: 2-diphenylphosphinobenzoic acid [(E,3S,4R)-9-chloro-3,5-dimethyl-1-oxonon-5-en-4-yl] ester IUPAC Name: [(E,3S,4R)-9-chloro-3,5-dimethyl-1-oxonon-5-en-4-yl] 2-diphenylphosphanylbenzoate Traditional Name: 2-diphenylphosphinobenzoic acid [(E,1R)-6-chloro-1-[(1S)-3-keto-1-methyl-propyl]-2-methyl-hex-2-enyl] ester Formula: C30H32ClO3P MolecularWeight: 507.000041

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H32ClO3P/c1-23(13-11-12-21-31)29(24(2)20-22-32)34-30(33)27-18-9-10-19-28(27)35(25-14-5-3-6-15-25)26-16-7-4-8-17-26/h3-10,13-19,22,24,29H,11-12,20-21H2,1-2H3/b23-13+/t24-,29-/m0/s1