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

Systemtic Name: methyl 4-[(E)-4-diphenylphosphoryl-3-methyl-but-3-en-1-ynyl]benzoate Openeye Name: methyl 4-[(E)-4-diphenylphosphoryl-3-methyl-but-3-en-1-ynyl]benzoate CAS Name: 4-[(E)-4-diphenylphosphoryl-3-methylbut-3-en-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-4-diphenylphosphoryl-3-methylbut-3-en-1-ynyl]benzoate Traditional Name: 4-[(E)-4-diphenylphosphoryl-3-methyl-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:

CC(=CP(=O)(C1=CC=CC=C1)C2=CC=CC=C2)C#CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

C/C(=C\P(=O)(C1=CC=CC=C1)C2=CC=CC=C2)/C#CC3=CC=C(C=C3)C(=O)OC

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/h3-12,15-19H,1-2H3/b20-19+