7-[(1R,2S)-2-[(3S)-3-acetyloxyoctyl]-5-oxidanylidene-cyclopentyl]heptanoic acid

Systemtic Name: 7-[(1R,2S)-2-[(3S)-3-acetyloxyoctyl]-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[(1R,2S)-2-[(3S)-3-acetoxyoctyl]-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[(1R,2S)-2-[(3S)-3-acetyloxyoctyl]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[(1R,2S)-2-[(3S)-3-acetyloxyoctyl]-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[(1R,2S)-2-[(3S)-3-acetoxyoctyl]-5-keto-cyclopentyl]enanthic acid Formula: C22H38O5 MolecularWeight: 382.53412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC1CCC(=O)C1CCCCCCC(=O)O)OC(=O)C

Isomeric SMILES

CCCCC[C@@H](CC[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O)OC(=O)C

InChI

InChI=1S/C22H38O5/c1-3-4-7-10-19(27-17(2)23)15-13-18-14-16-21(24)20(18)11-8-5-6-9-12-22(25)26/h18-20H,3-16H2,1-2H3,(H,25,26)/t18-,19-,20+/m0/s1