(1S)-1-(4-methoxyphenyl)-4-phenyl-2-(2-phenylethynyl)but-3-yne-1,2-diol

Systemtic Name: (1S)-1-(4-methoxyphenyl)-4-phenyl-2-(2-phenylethynyl)but-3-yne-1,2-diol Openeye Name: (1S)-1-(4-methoxyphenyl)-4-phenyl-2-(2-phenylethynyl)but-3-yne-1,2-diol CAS Name: (1S)-1-(4-methoxyphenyl)-4-phenyl-2-(2-phenylethynyl)-3-butyne-1,2-diol IUPAC Name: (1S)-1-(4-methoxyphenyl)-4-phenyl-2-(2-phenylethynyl)but-3-yne-1,2-diol Traditional Name: (1S)-1-(4-methoxyphenyl)-4-phenyl-2-(2-phenylethynyl)but-3-yne-1,2-diol Formula: C25H20O3 MolecularWeight: 368.4245

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C(C#CC2=CC=CC=C2)(C#CC3=CC=CC=C3)O)O

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H](C(C#CC2=CC=CC=C2)(C#CC3=CC=CC=C3)O)O

InChI

InChI=1S/C25H20O3/c1-28-23-14-12-22(13-15-23)24(26)25(27,18-16-20-8-4-2-5-9-20)19-17-21-10-6-3-7-11-21/h2-15,24,26-27H,1H3/t24-/m0/s1