1-(3,3-dimethyl-2H-1,4-benzoxathiin-7-yl)ethanone

Systemtic Name: 1-(3,3-dimethyl-2H-1,4-benzoxathiin-7-yl)ethanone Openeye Name: 1-(3,3-dimethyl-2H-1,4-benzoxathiin-7-yl)ethanone CAS Name: 1-(3,3-dimethyl-2H-1,4-benzoxathiin-7-yl)ethanone IUPAC Name: 1-(3,3-dimethyl-2H-1,4-benzoxathiin-7-yl)ethanone Traditional Name: 1-(3,3-dimethyl-2H-1,4-benzoxathiin-7-yl)ethanone Formula: C12H14O2S MolecularWeight: 222.30336

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)SC(CO2)(C)C

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)SC(CO2)(C)C

InChI

InChI=1S/C12H14O2S/c1-8(13)9-4-5-11-10(6-9)14-7-12(2,3)15-11/h4-6H,7H2,1-3H3