(E)-1-(1,3-benzodioxol-5-yl)-6-methyl-hept-1-en-3-one

Systemtic Name: (E)-1-(1,3-benzodioxol-5-yl)-6-methyl-hept-1-en-3-one Openeye Name: (E)-1-(1,3-benzodioxol-5-yl)-6-methyl-hept-1-en-3-one CAS Name: (E)-1-(1,3-benzodioxol-5-yl)-6-methyl-1-hepten-3-one IUPAC Name: (E)-1-(1,3-benzodioxol-5-yl)-6-methylhept-1-en-3-one Traditional Name: (E)-1-(1,3-benzodioxol-5-yl)-6-methyl-hept-1-en-3-one Formula: C15H18O3 MolecularWeight: 246.30162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18O3/c1-11(2)3-6-13(16)7-4-12-5-8-14-15(9-12)18-10-17-14/h4-5,7-9,11H,3,6,10H2,1-2H3/b7-4+