3-ethynyl-1-phenyl-hex-5-yn-1-one

Systemtic Name: 3-ethynyl-1-phenyl-hex-5-yn-1-one Openeye Name: 3-ethynyl-1-phenyl-hex-5-yn-1-one CAS Name: 3-ethynyl-1-phenyl-5-hexyn-1-one IUPAC Name: 3-ethynyl-1-phenylhex-5-yn-1-one Traditional Name: 3-ethynyl-1-phenyl-hex-5-yn-1-one Formula: C14H12O MolecularWeight: 196.24448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12O/c1-3-8-12(4-2)11-14(15)13-9-6-5-7-10-13/h1-2,5-7,9-10,12H,8,11H2