5-oxidanyl-5-(2-phenylethynyl)octan-4-one

Systemtic Name: 5-oxidanyl-5-(2-phenylethynyl)octan-4-one Openeye Name: 5-hydroxy-5-(2-phenylethynyl)octan-4-one CAS Name: 5-hydroxy-5-(2-phenylethynyl)-4-octanone IUPAC Name: 5-hydroxy-5-(2-phenylethynyl)octan-4-one Traditional Name: 3-hydroxy-1-phenyl-3-propyl-hept-1-yn-4-one Formula: C16H20O2 MolecularWeight: 244.3288

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(CCC)(C#CC1=CC=CC=C1)O

Isomeric SMILES

CCCC(=O)C(CCC)(C#CC1=CC=CC=C1)O

InChI

InChI=1S/C16H20O2/c1-3-8-15(17)16(18,12-4-2)13-11-14-9-6-5-7-10-14/h5-7,9-10,18H,3-4,8,12H2,1-2H3