methyl 4-[3-(diphenylphosphorylmethyl)but-3-en-1-ynyl]benzoate

Systemtic Name: methyl 4-[3-(diphenylphosphorylmethyl)but-3-en-1-ynyl]benzoate Openeye Name: methyl 4-[3-(diphenylphosphorylmethyl)but-3-en-1-ynyl]benzoate CAS Name: 4-[3-(diphenylphosphorylmethyl)but-3-en-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(diphenylphosphorylmethyl)but-3-en-1-ynyl]benzoate Traditional Name: 4-[3-(diphenylphosphorylmethyl)but-3-en-1-ynyl]benzoic acid methyl ester Formula: C25H21O3P MolecularWeight: 400.406201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C#CC(=C)CP(=O)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C#CC(=C)CP(=O)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H21O3P/c1-20(13-14-21-15-17-22(18-16-21)25(26)28-2)19-29(27,23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-12,15-18H,1,19H2,2H3