(E)-6-(1,3-benzodioxol-5-yl)hex-4-en-3-one

Systemtic Name: (E)-6-(1,3-benzodioxol-5-yl)hex-4-en-3-one Openeye Name: (E)-6-(1,3-benzodioxol-5-yl)hex-4-en-3-one CAS Name: (E)-6-(1,3-benzodioxol-5-yl)-4-hexen-3-one IUPAC Name: (E)-6-(1,3-benzodioxol-5-yl)hex-4-en-3-one Traditional Name: (E)-6-(1,3-benzodioxol-5-yl)hex-4-en-3-one Formula: C13H14O3 MolecularWeight: 218.24846

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C=CCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCC(=O)/C=C/CC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H14O3/c1-2-11(14)5-3-4-10-6-7-12-13(8-10)16-9-15-12/h3,5-8H,2,4,9H2,1H3/b5-3+