S-tert-butyl (3S)-3-(2-oxidanylidenepropyl)octanethioate

Systemtic Name: S-tert-butyl (3S)-3-(2-oxidanylidenepropyl)octanethioate Openeye Name: S-tert-butyl (3S)-3-acetonyloctanethioate CAS Name: (3S)-3-(2-oxopropyl)octanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl (3S)-3-(2-oxopropyl)octanethioate Traditional Name: (3S)-3-acetonyloctanethioic acid S-tert-butyl ester Formula: C15H28O2S MolecularWeight: 272.44662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)C)CC(=O)SC(C)(C)C

Isomeric SMILES

CCCCC[C@@H](CC(=O)C)CC(=O)SC(C)(C)C

InChI

InChI=1S/C15H28O2S/c1-6-7-8-9-13(10-12(2)16)11-14(17)18-15(3,4)5/h13H,6-11H2,1-5H3/t13-/m0/s1