2-[(1S,2S)-2-ethyl-2-oct-1-ynyl-5-oxidanylidene-1-propanoyloxy-cyclopentyl]heptanoic acid

Systemtic Name: 2-[(1S,2S)-2-ethyl-2-oct-1-ynyl-5-oxidanylidene-1-propanoyloxy-cyclopentyl]heptanoic acid Openeye Name: 2-[(1S,2S)-2-ethyl-2-oct-1-ynyl-5-oxo-1-propanoyloxy-cyclopentyl]heptanoic acid CAS Name: 2-[(1S,2S)-2-ethyl-2-oct-1-ynyl-5-oxo-1-(1-oxopropoxy)cyclopentyl]heptanoic acid IUPAC Name: 2-[(1S,2S)-2-ethyl-2-oct-1-ynyl-5-oxo-1-propanoyloxycyclopentyl]heptanoic acid Traditional Name: 2-[(1S,2S)-2-ethyl-5-keto-2-oct-1-ynyl-1-propionyloxy-cyclopentyl]enanthic acid Formula: C25H40O5 MolecularWeight: 420.5821

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1(CCC(=O)C1(C(CCCCC)C(=O)O)OC(=O)CC)CC

Isomeric SMILES

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

InChI

InChI=1S/C25H40O5/c1-5-9-11-12-13-15-18-24(8-4)19-17-21(26)25(24,30-22(27)7-3)20(23(28)29)16-14-10-6-2/h20H,5-14,16-17,19H2,1-4H3,(H,28,29)/t20?,24-,25-/m1/s1