1-(3-prop-2-ynoylphenyl)prop-2-yn-1-one

Systemtic Name: 1-(3-prop-2-ynoylphenyl)prop-2-yn-1-one Openeye Name: 1-(3-prop-2-ynoylphenyl)prop-2-yn-1-one CAS Name: 1-[3-(1-oxoprop-2-ynyl)phenyl]-2-propyn-1-one IUPAC Name: 1-(3-prop-2-ynoylphenyl)prop-2-yn-1-one Traditional Name: 1-(3-propioloylphenyl)prop-2-yn-1-one Formula: C12H6O2 MolecularWeight: 182.17484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC(=O)C1=CC(=CC=C1)C(=O)C#C

Isomeric SMILES

C#CC(=O)C1=CC(=CC=C1)C(=O)C#C

InChI

InChI=1S/C12H6O2/c1-3-11(13)9-6-5-7-10(8-9)12(14)4-2/h1-2,5-8H