ethyl 7-[(1S,2S)-2-oct-1-ynyl-5-oxidanylidene-1-propanoyloxy-cyclopentyl]heptanoate

Systemtic Name: ethyl 7-[(1S,2S)-2-oct-1-ynyl-5-oxidanylidene-1-propanoyloxy-cyclopentyl]heptanoate Openeye Name: ethyl 7-[(1S,2S)-2-oct-1-ynyl-5-oxo-1-propanoyloxy-cyclopentyl]heptanoate CAS Name: 7-[(1S,2S)-2-oct-1-ynyl-5-oxo-1-(1-oxopropoxy)cyclopentyl]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[(1S,2S)-2-oct-1-ynyl-5-oxo-1-propanoyloxycyclopentyl]heptanoate Traditional Name: 7-[(1S,5S)-2-keto-5-oct-1-ynyl-1-propionyloxy-cyclopentyl]enanthic acid ethyl ester Formula: C25H40O5 MolecularWeight: 420.5821

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1CCC(=O)C1(CCCCCCC(=O)OCC)OC(=O)CC

Isomeric SMILES

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

InChI

InChI=1S/C25H40O5/c1-4-7-8-9-10-13-16-21-18-19-22(26)25(21,30-23(27)5-2)20-15-12-11-14-17-24(28)29-6-3/h21H,4-12,14-15,17-20H2,1-3H3/t21-,25+/m1/s1