1-(1,3-benzodioxol-5-yl)pentan-2-one

Systemtic Name: 1-(1,3-benzodioxol-5-yl)pentan-2-one Openeye Name: 1-(1,3-benzodioxol-5-yl)pentan-2-one CAS Name: 1-(1,3-benzodioxol-5-yl)-2-pentanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)pentan-2-one Traditional Name: 1-(1,3-benzodioxol-5-yl)pentan-2-one Formula: C12H14O3 MolecularWeight: 206.23776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O3/c1-2-3-10(13)6-9-4-5-11-12(7-9)15-8-14-11/h4-5,7H,2-3,6,8H2,1H3