1-(1,3-benzodioxol-5-yl)-2-butan-2-ylsulfanyl-ethanone

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-butan-2-ylsulfanyl-ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-sec-butylsulfanyl-ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-(butan-2-ylthio)ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-butan-2-ylsulfanylethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-(sec-butylthio)ethanone Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SCC(=O)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCC(C)SCC(=O)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H16O3S/c1-3-9(2)17-7-11(14)10-4-5-12-13(6-10)16-8-15-12/h4-6,9H,3,7-8H2,1-2H3