S-(4-oxidanylideneheptan-3-yl) ethanethioate

Systemtic Name: S-(4-oxidanylideneheptan-3-yl) ethanethioate Openeye Name: S-(1-ethyl-2-oxo-pentyl) ethanethioate CAS Name: ethanethioic acid S-(4-oxoheptan-3-yl) ester IUPAC Name: S-(4-oxoheptan-3-yl) ethanethioate Traditional Name: ethanethioic acid S-(1-ethyl-2-keto-pentyl) ester Formula: C9H16O2S MolecularWeight: 188.28714

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(CC)SC(=O)C

Isomeric SMILES

CCCC(=O)C(CC)SC(=O)C

InChI

InChI=1S/C9H16O2S/c1-4-6-8(11)9(5-2)12-7(3)10/h9H,4-6H2,1-3H3