[(E)-3-ethynyl-3-oxidanyl-oct-1-enyl] 7-[(1S)-2-oxidanylidenecyclopentyl]heptanoate

Systemtic Name: [(E)-3-ethynyl-3-oxidanyl-oct-1-enyl] 7-[(1S)-2-oxidanylidenecyclopentyl]heptanoate Openeye Name: [(E)-3-ethynyl-3-hydroxy-oct-1-enyl] 7-[(1S)-2-oxocyclopentyl]heptanoate CAS Name: 7-[(1S)-2-oxocyclopentyl]heptanoic acid [(E)-3-ethynyl-3-hydroxyoct-1-enyl] ester IUPAC Name: [(E)-3-ethynyl-3-hydroxyoct-1-enyl] 7-[(1S)-2-oxocyclopentyl]heptanoate Traditional Name: 7-[(1S)-2-ketocyclopentyl]enanthic acid [(E)-3-amyl-3-hydroxy-pent-1-en-4-ynyl] ester Formula: C22H34O4 MolecularWeight: 362.50296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=COC(=O)CCCCCCC1CCCC1=O)(C#C)O

Isomeric SMILES

CCCCCC(/C=C/OC(=O)CCCCCC[C@H]1CCCC1=O)(C#C)O

InChI

InChI=1S/C22H34O4/c1-3-5-10-16-22(25,4-2)17-18-26-21(24)15-9-7-6-8-12-19-13-11-14-20(19)23/h2,17-19,25H,3,5-16H2,1H3/b18-17+/t19-,22?/m0/s1