ethyl (3R)-3-[(Z,5S,7S)-3-methyl-5-oxidanyl-7-propanoyloxy-dec-2-enoxy]hex-5-ynoate

Systemtic Name: ethyl (3R)-3-[(Z,5S,7S)-3-methyl-5-oxidanyl-7-propanoyloxy-dec-2-enoxy]hex-5-ynoate Openeye Name: ethyl (3R)-3-[(Z,5S,7S)-5-hydroxy-3-methyl-7-propanoyloxy-dec-2-enoxy]hex-5-ynoate CAS Name: (3R)-3-[(Z,5S,7S)-5-hydroxy-3-methyl-7-(1-oxopropoxy)dec-2-enoxy]-5-hexynoic acid ethyl ester IUPAC Name: ethyl (3R)-3-[(Z,5S,7S)-5-hydroxy-3-methyl-7-propanoyloxydec-2-enoxy]hex-5-ynoate Traditional Name: (3R)-3-[(Z,5S,7S)-5-hydroxy-3-methyl-7-propionyloxy-dec-2-enoxy]hex-5-ynoic acid ethyl ester Formula: C22H36O6 MolecularWeight: 396.51764

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(CC(=CCOC(CC#C)CC(=O)OCC)C)O)OC(=O)CC

Isomeric SMILES

CCC[C@@H](C[C@H](C/C(=C\CO[C@H](CC#C)CC(=O)OCC)/C)O)OC(=O)CC

InChI

InChI=1S/C22H36O6/c1-6-10-19(16-22(25)26-9-4)27-13-12-17(5)14-18(23)15-20(11-7-2)28-21(24)8-3/h1,12,18-20,23H,7-11,13-16H2,2-5H3/b17-12-/t18-,19+,20-/m0/s1