1-(1,3-benzodioxol-5-yl)-2-ethyl-butan-1-one

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-ethyl-butan-1-one Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-ethyl-butan-1-one CAS Name: 1-(1,3-benzodioxol-5-yl)-2-ethyl-1-butanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-ethylbutan-1-one Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-ethyl-butan-1-one Formula: C13H16O3 MolecularWeight: 220.26434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O3/c1-3-9(4-2)13(14)10-5-6-11-12(7-10)16-8-15-11/h5-7,9H,3-4,8H2,1-2H3