3-propanoylthian-4-one

Systemtic Name: 3-propanoylthian-4-one Openeye Name: 3-propanoyltetrahydrothiopyran-4-one CAS Name: 3-(1-oxopropyl)-4-thianone IUPAC Name: 3-propanoylthian-4-one Traditional Name: 3-propionyltetrahydrothiopyran-4-one Formula: C8H12O2S MolecularWeight: 172.24468

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1CSCCC1=O

Isomeric SMILES

CCC(=O)C1CSCCC1=O

InChI

InChI=1S/C8H12O2S/c1-2-7(9)6-5-11-4-3-8(6)10/h6H,2-5H2,1H3