4-(1,3-benzodioxol-5-yl)-4-methoxy-butan-2-one

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-4-methoxy-butan-2-one Openeye Name: 4-(1,3-benzodioxol-5-yl)-4-methoxy-butan-2-one CAS Name: 4-(1,3-benzodioxol-5-yl)-4-methoxy-2-butanone IUPAC Name: 4-(1,3-benzodioxol-5-yl)-4-methoxybutan-2-one Traditional Name: 4-(1,3-benzodioxol-5-yl)-4-methoxy-butan-2-one Formula: C12H14O4 MolecularWeight: 222.23716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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