methyl 8-[(1S,5R)-4-oxidanylidene-5-pent-2-ynyl-cyclopent-2-en-1-yl]octanoate

Systemtic Name: methyl 8-[(1S,5R)-4-oxidanylidene-5-pent-2-ynyl-cyclopent-2-en-1-yl]octanoate Openeye Name: methyl 8-[(1S,5R)-4-oxo-5-pent-2-ynyl-cyclopent-2-en-1-yl]octanoate CAS Name: 8-[(1S,5R)-4-oxo-5-pent-2-ynyl-1-cyclopent-2-enyl]octanoic acid methyl ester IUPAC Name: methyl 8-[(1S,5R)-4-oxo-5-pent-2-ynylcyclopent-2-en-1-yl]octanoate Traditional Name: 8-[(1S,5R)-4-keto-5-pent-2-ynyl-cyclopent-2-en-1-yl]caprylic acid methyl ester Formula: C19H28O3 MolecularWeight: 304.42382

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCC1C(C=CC1=O)CCCCCCCC(=O)OC

Isomeric SMILES

CCC#CC[C@@H]1[C@H](C=CC1=O)CCCCCCCC(=O)OC

InChI

InChI=1S/C19H28O3/c1-3-4-8-12-17-16(14-15-18(17)20)11-9-6-5-7-10-13-19(21)22-2/h14-17H,3,5-7,9-13H2,1-2H3/t16-,17+/m0/s1