S-tert-butyl 2-(3-oxidanylidenecyclohexyl)propanethioate

Systemtic Name: S-tert-butyl 2-(3-oxidanylidenecyclohexyl)propanethioate Openeye Name: S-tert-butyl 2-(3-oxocyclohexyl)propanethioate CAS Name: 2-(3-oxocyclohexyl)propanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl 2-(3-oxocyclohexyl)propanethioate Traditional Name: 2-(3-ketocyclohexyl)propanethioic acid S-tert-butyl ester Formula: C13H22O2S MolecularWeight: 242.37758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCC(=O)C1)C(=O)SC(C)(C)C

Isomeric SMILES

CC(C1CCCC(=O)C1)C(=O)SC(C)(C)C

InChI

InChI=1S/C13H22O2S/c1-9(12(15)16-13(2,3)4)10-6-5-7-11(14)8-10/h9-10H,5-8H2,1-4H3