6-[(1R,2S)-2-(3-ethanoyloctyl)-5-oxidanylidene-cyclopentyl]hexanethioate

Systemtic Name: 6-[(1R,2S)-2-(3-ethanoyloctyl)-5-oxidanylidene-cyclopentyl]hexanethioate Openeye Name: 6-[(1R,2S)-2-(3-acetyloctyl)-5-oxo-cyclopentyl]hexanethioate CAS Name: 6-[(1R,2S)-2-(3-acetyloctyl)-5-oxocyclopentyl]hexanethioate IUPAC Name: 6-[(1R,2S)-2-(3-acetyloctyl)-5-oxocyclopentyl]hexanethioate Traditional Name: 6-[(1R,2S)-2-(3-acetyloctyl)-5-keto-cyclopentyl]hexanethioate Formula: C21H35O3S- MolecularWeight: 367.5658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC1CCC(=O)C1CCCCCC(=S)[O-])C(=O)C

Isomeric SMILES

CCCCCC(CC[C@H]1CCC(=O)[C@@H]1CCCCCC(=S)[O-])C(=O)C

InChI

InChI=1S/C21H36O3S/c1-3-4-6-9-17(16(2)22)12-13-18-14-15-20(23)19(18)10-7-5-8-11-21(24)25/h17-19H,3-15H2,1-2H3,(H,24,25)/p-1/t17?,18-,19+/m0/s1