3-(2-oxidanylidenepropoxy)-3,4-dihydro-1H-isothiochromene-5,8-dione

Systemtic Name: 3-(2-oxidanylidenepropoxy)-3,4-dihydro-1H-isothiochromene-5,8-dione Openeye Name: 3-acetonyloxy-3,4-dihydro-1H-isothiochromene-5,8-dione CAS Name: 3-(2-oxopropoxy)-3,4-dihydro-1H-2-benzothiopyran-5,8-dione IUPAC Name: 3-(2-oxopropoxy)-3,4-dihydro-1H-isothiochromene-5,8-dione Traditional Name: 3-acetonyloxy-3,4-dihydro-1H-isothiochromene-5,8-quinone Formula: C12H12O4S MolecularWeight: 252.28628

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)COC1CC2=C(CS1)C(=O)C=CC2=O

Isomeric SMILES

CC(=O)COC1CC2=C(CS1)C(=O)C=CC2=O

InChI

InChI=1S/C12H12O4S/c1-7(13)5-16-12-4-8-9(6-17-12)11(15)3-2-10(8)14/h2-3,12H,4-6H2,1H3