7-phenyl-1-[2-(2-phenylethynyl)phenyl]hept-6-yn-1-one

Systemtic Name: 7-phenyl-1-[2-(2-phenylethynyl)phenyl]hept-6-yn-1-one Openeye Name: 7-phenyl-1-[2-(2-phenylethynyl)phenyl]hept-6-yn-1-one CAS Name: 7-phenyl-1-[2-(2-phenylethynyl)phenyl]-6-heptyn-1-one IUPAC Name: 7-phenyl-1-[2-(2-phenylethynyl)phenyl]hept-6-yn-1-one Traditional Name: 7-phenyl-1-[2-(2-phenylethynyl)phenyl]hept-6-yn-1-one Formula: C27H22O MolecularWeight: 362.46298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CCCCCC(=O)C2=CC=CC=C2C#CC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C#CCCCCC(=O)C2=CC=CC=C2C#CC3=CC=CC=C3

InChI

InChI=1S/C27H22O/c28-27(20-10-2-1-5-13-23-14-6-3-7-15-23)26-19-12-11-18-25(26)22-21-24-16-8-4-9-17-24/h3-4,6-9,11-12,14-19H,1-2,10,20H2