(E)-1-(1,3-benzodioxol-5-yl)-4-methyl-pent-1-en-3-one

Systemtic Name: (E)-1-(1,3-benzodioxol-5-yl)-4-methyl-pent-1-en-3-one Openeye Name: (E)-1-(1,3-benzodioxol-5-yl)-4-methyl-pent-1-en-3-one CAS Name: (E)-1-(1,3-benzodioxol-5-yl)-4-methyl-1-penten-3-one IUPAC Name: (E)-1-(1,3-benzodioxol-5-yl)-4-methylpent-1-en-3-one Traditional Name: (E)-1-(1,3-benzodioxol-5-yl)-4-methyl-pent-1-en-3-one Formula: C13H14O3 MolecularWeight: 218.24846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C=CC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C)C(=O)/C=C/C1=CC2=C(C=C1)OCO2

InChI

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