(E)-1-(3H-1,2-benzodioxol-6-yl)hex-4-en-3-one

Systemtic Name: (E)-1-(3H-1,2-benzodioxol-6-yl)hex-4-en-3-one Openeye Name: (E)-1-(3H-1,2-benzodioxol-6-yl)hex-4-en-3-one CAS Name: (E)-1-(3H-1,2-benzodioxol-6-yl)-4-hexen-3-one IUPAC Name: (E)-1-(3H-1,2-benzodioxol-6-yl)hex-4-en-3-one Traditional Name: (E)-1-(3H-1,2-benzodioxol-6-yl)hex-4-en-3-one Formula: C13H14O3 MolecularWeight: 218.24846

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)CCC1=CC2=C(COO2)C=C1

Isomeric SMILES

C/C=C/C(=O)CCC1=CC2=C(COO2)C=C1

InChI

InChI=1S/C13H14O3/c1-2-3-12(14)7-5-10-4-6-11-9-15-16-13(11)8-10/h2-4,6,8H,5,7,9H2,1H3/b3-2+