3-propanoyl-5-(thian-3-yl)oxane-2,4-dione

Systemtic Name: 3-propanoyl-5-(thian-3-yl)oxane-2,4-dione Openeye Name: 3-propanoyl-5-tetrahydrothiopyran-3-yl-tetrahydropyran-2,4-dione CAS Name: 3-(1-oxopropyl)-5-(3-thianyl)oxane-2,4-dione IUPAC Name: 3-propanoyl-5-(thian-3-yl)oxane-2,4-dione Traditional Name: 3-propionyl-5-tetrahydrothiopyran-3-yl-tetrahydropyran-2,4-quinone Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1C(=O)C(COC1=O)C2CCCSC2

Isomeric SMILES

CCC(=O)C1C(=O)C(COC1=O)C2CCCSC2

InChI

InChI=1S/C13H18O4S/c1-2-10(14)11-12(15)9(6-17-13(11)16)8-4-3-5-18-7-8/h8-9,11H,2-7H2,1H3