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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-methyl-butan-2-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-3-methyl-butan-2-one CAS Name: 3-(1,3-benzodioxol-5-yl)-3-methyl-2-butanone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-methylbutan-2-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-methyl-butan-2-one Formula: C12H14O3 MolecularWeight: 206.23776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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