1-[2-(1,3-benzodioxol-5-yl)ethylsulfonyl]propan-2-one

Systemtic Name: 1-[2-(1,3-benzodioxol-5-yl)ethylsulfonyl]propan-2-one Openeye Name: 1-[2-(1,3-benzodioxol-5-yl)ethylsulfonyl]propan-2-one CAS Name: 1-[2-(1,3-benzodioxol-5-yl)ethylsulfonyl]-2-propanone IUPAC Name: 1-[2-(1,3-benzodioxol-5-yl)ethylsulfonyl]propan-2-one Traditional Name: 1-homopiperonylsulfonylacetone Formula: C12H14O5S MolecularWeight: 270.30156

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CS(=O)(=O)CCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(=O)CS(=O)(=O)CCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C12H14O5S/c1-9(13)7-18(14,15)5-4-10-2-3-11-12(6-10)17-8-16-11/h2-3,6H,4-5,7-8H2,1H3