8-[(1R,2S)-2-(3-ethanoyloctyl)-5-oxidanylidene-cyclopentyl]octanethioic S-acid

Systemtic Name: 8-[(1R,2S)-2-(3-ethanoyloctyl)-5-oxidanylidene-cyclopentyl]octanethioic S-acid Openeye Name: 8-[(1R,2S)-2-(3-acetyloctyl)-5-oxo-cyclopentyl]octanethioic S-acid CAS Name: 8-[(1R,2S)-2-(3-acetyloctyl)-5-oxocyclopentyl]octanethioic S-acid IUPAC Name: 8-[(1R,2S)-2-(3-acetyloctyl)-5-oxocyclopentyl]octanethioic S-acid Traditional Name: 8-[(1R,2S)-2-(3-acetyloctyl)-5-keto-cyclopentyl]thiocaprylic acid Formula: C23H40O3S MolecularWeight: 396.6269

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC1CCC(=O)C1CCCCCCCC(=O)S)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C23H40O3S/c1-3-4-8-11-19(18(2)24)14-15-20-16-17-22(25)21(20)12-9-6-5-7-10-13-23(26)27/h19-21H,3-17H2,1-2H3,(H,26,27)/t19?,20-,21+/m0/s1