1-(1,3-benzodioxol-5-yl)hex-2-yn-1-one

Systemtic Name: 1-(1,3-benzodioxol-5-yl)hex-2-yn-1-one Openeye Name: 1-(1,3-benzodioxol-5-yl)hex-2-yn-1-one CAS Name: 1-(1,3-benzodioxol-5-yl)-2-hexyn-1-one IUPAC Name: 1-(1,3-benzodioxol-5-yl)hex-2-yn-1-one Traditional Name: 1-(1,3-benzodioxol-5-yl)hex-2-yn-1-one Formula: C13H12O3 MolecularWeight: 216.23258

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC(=O)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCCC#CC(=O)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H12O3/c1-2-3-4-5-11(14)10-6-7-12-13(8-10)16-9-15-12/h6-8H,2-3,9H2,1H3