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

Systemtic Name: 1-[2-(1,3-benzodioxol-5-yl)ethylsulfinyl]propan-2-one Openeye Name: 1-[2-(1,3-benzodioxol-5-yl)ethylsulfinyl]propan-2-one CAS Name: 1-[2-(1,3-benzodioxol-5-yl)ethylsulfinyl]-2-propanone IUPAC Name: 1-[2-(1,3-benzodioxol-5-yl)ethylsulfinyl]propan-2-one Traditional Name: 1-homopiperonylsulfinylacetone Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O4S/c1-9(13)7-17(14)5-4-10-2-3-11-12(6-10)16-8-15-11/h2-3,6H,4-5,7-8H2,1H3