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

Systemtic Name: 1-[2-(1,3-benzodioxol-5-yl)ethylsulfanyl]propan-2-one Openeye Name: 1-[2-(1,3-benzodioxol-5-yl)ethylsulfanyl]propan-2-one CAS Name: 1-[2-(1,3-benzodioxol-5-yl)ethylthio]-2-propanone IUPAC Name: 1-[2-(1,3-benzodioxol-5-yl)ethylsulfanyl]propan-2-one Traditional Name: 1-(homopiperonylthio)acetone Formula: C12H14O3S MolecularWeight: 238.30276

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSCCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(=O)CSCCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C12H14O3S/c1-9(13)7-16-5-4-10-2-3-11-12(6-10)15-8-14-11/h2-3,6H,4-5,7-8H2,1H3