3-[2-(4-methylphenyl)ethynyl]-1,5-diphenyl-pentane-1,5-dione

Systemtic Name: 3-[2-(4-methylphenyl)ethynyl]-1,5-diphenyl-pentane-1,5-dione Openeye Name: 1,5-diphenyl-3-[2-(p-tolyl)ethynyl]pentane-1,5-dione CAS Name: 3-[2-(4-methylphenyl)ethynyl]-1,5-diphenylpentane-1,5-dione IUPAC Name: 3-[2-(4-methylphenyl)ethynyl]-1,5-diphenylpentane-1,5-dione Traditional Name: 1,5-diphenyl-3-[2-(p-tolyl)ethynyl]pentane-1,5-dione Formula: C26H22O2 MolecularWeight: 366.45168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CC(CC(=O)C2=CC=CC=C2)CC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C#CC(CC(=O)C2=CC=CC=C2)CC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H22O2/c1-20-12-14-21(15-13-20)16-17-22(18-25(27)23-8-4-2-5-9-23)19-26(28)24-10-6-3-7-11-24/h2-15,22H,18-19H2,1H3