1-(1,3-benzodioxol-5-yloxy)pentan-3-one

Systemtic Name: 1-(1,3-benzodioxol-5-yloxy)pentan-3-one Openeye Name: 1-(1,3-benzodioxol-5-yloxy)pentan-3-one CAS Name: 1-(1,3-benzodioxol-5-yloxy)-3-pentanone IUPAC Name: 1-(1,3-benzodioxol-5-yloxy)pentan-3-one Traditional Name: 1-(1,3-benzodioxol-5-yloxy)pentan-3-one Formula: C12H14O4 MolecularWeight: 222.23716

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CCOC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCC(=O)CCOC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C12H14O4/c1-2-9(13)5-6-14-10-3-4-11-12(7-10)16-8-15-11/h3-4,7H,2,5-6,8H2,1H3