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

Systemtic Name: 1-(2-ethylphenyl)-4-phenyl-2-(2-phenylethynyl)but-3-yne-1,2-diol Openeye Name: 1-(2-ethylphenyl)-4-phenyl-2-(2-phenylethynyl)but-3-yne-1,2-diol CAS Name: 1-(2-ethylphenyl)-4-phenyl-2-(2-phenylethynyl)-3-butyne-1,2-diol IUPAC Name: 1-(2-ethylphenyl)-4-phenyl-2-(2-phenylethynyl)but-3-yne-1,2-diol Traditional Name: 1-(2-ethylphenyl)-4-phenyl-2-(2-phenylethynyl)but-3-yne-1,2-diol Formula: C26H22O2 MolecularWeight: 366.45168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C(C(C#CC2=CC=CC=C2)(C#CC3=CC=CC=C3)O)O

Isomeric SMILES

CCC1=CC=CC=C1C(C(C#CC2=CC=CC=C2)(C#CC3=CC=CC=C3)O)O

InChI

InChI=1S/C26H22O2/c1-2-23-15-9-10-16-24(23)25(27)26(28,19-17-21-11-5-3-6-12-21)20-18-22-13-7-4-8-14-22/h3-16,25,27-28H,2H2,1H3