6-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)hex-2-ynal

Systemtic Name: 6-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)hex-2-ynal Openeye Name: 6-(4-acetyl-3-hydroxy-2-propyl-phenoxy)hex-2-ynal CAS Name: 6-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hexynal IUPAC Name: 6-(4-acetyl-3-hydroxy-2-propylphenoxy)hex-2-ynal Traditional Name: 6-(4-acetyl-3-hydroxy-2-propyl-phenoxy)hex-2-ynal Formula: C17H20O4 MolecularWeight: 288.3383

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCC#CC=O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCC#CC=O

InChI

InChI=1S/C17H20O4/c1-3-8-15-16(21-12-7-5-4-6-11-18)10-9-14(13(2)19)17(15)20/h9-11,20H,3,5,7-8,12H2,1-2H3