S-[4-(3-oxidanylidenecyclohexen-1-yl)butyl] ethanethioate

Systemtic Name: S-[4-(3-oxidanylidenecyclohexen-1-yl)butyl] ethanethioate Openeye Name: S-[4-(3-oxocyclohexen-1-yl)butyl] ethanethioate CAS Name: ethanethioic acid S-[4-(3-oxo-1-cyclohexenyl)butyl] ester IUPAC Name: S-[4-(3-oxocyclohexen-1-yl)butyl] ethanethioate Traditional Name: ethanethioic acid S-[4-(3-ketocyclohexen-1-yl)butyl] ester Formula: C12H18O2S MolecularWeight: 226.33512

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCCCC1=CC(=O)CCC1

Isomeric SMILES

CC(=O)SCCCCC1=CC(=O)CCC1

InChI

InChI=1S/C12H18O2S/c1-10(13)15-8-3-2-5-11-6-4-7-12(14)9-11/h9H,2-8H2,1H3