5,5-dimethyl-1-phenyl-hex-3-yn-1-one

Systemtic Name: 5,5-dimethyl-1-phenyl-hex-3-yn-1-one Openeye Name: 5,5-dimethyl-1-phenyl-hex-3-yn-1-one CAS Name: 5,5-dimethyl-1-phenyl-3-hexyn-1-one IUPAC Name: 5,5-dimethyl-1-phenylhex-3-yn-1-one Traditional Name: 5,5-dimethyl-1-phenyl-hex-3-yn-1-one Formula: C14H16O MolecularWeight: 200.27624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16O/c1-14(2,3)11-7-10-13(15)12-8-5-4-6-9-12/h4-6,8-9H,10H2,1-3H3