3-[2-(4-ethanoylphenyl)ethynyl]-1-phenyl-octan-1-one

Systemtic Name: 3-[2-(4-ethanoylphenyl)ethynyl]-1-phenyl-octan-1-one Openeye Name: 3-[2-(4-acetylphenyl)ethynyl]-1-phenyl-octan-1-one CAS Name: 3-[2-(4-acetylphenyl)ethynyl]-1-phenyl-1-octanone IUPAC Name: 3-[2-(4-acetylphenyl)ethynyl]-1-phenyloctan-1-one Traditional Name: 5-(4-acetylphenyl)-3-amyl-1-phenyl-pent-4-yn-1-one Formula: C24H26O2 MolecularWeight: 346.46204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)C1=CC=CC=C1)C#CC2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CCCCCC(CC(=O)C1=CC=CC=C1)C#CC2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C24H26O2/c1-3-4-6-9-21(18-24(26)23-10-7-5-8-11-23)13-12-20-14-16-22(17-15-20)19(2)25/h5,7-8,10-11,14-17,21H,3-4,6,9,18H2,1-2H3