1-(1,3-benzodioxol-5-yl)-2-tert-butylsulfanyl-ethanone

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-tert-butylsulfanyl-ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-tert-butylsulfanyl-ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-(tert-butylthio)ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-tert-butylsulfanylethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-(tert-butylthio)ethanone Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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