[(3S,5R)-7-methyl-5-oxidanyl-oct-1-yn-3-yl] 3-oxidanylidenebutanoate

Systemtic Name: [(3S,5R)-7-methyl-5-oxidanyl-oct-1-yn-3-yl] 3-oxidanylidenebutanoate Openeye Name: [(1S,3R)-1-ethynyl-3-hydroxy-5-methyl-hexyl] 3-oxobutanoate CAS Name: 3-oxobutanoic acid [(3S,5R)-5-hydroxy-7-methyloct-1-yn-3-yl] ester IUPAC Name: [(3S,5R)-5-hydroxy-7-methyloct-1-yn-3-yl] 3-oxobutanoate Traditional Name: 3-ketobutyric acid [(1S)-1-[(2R)-2-hydroxy-4-methyl-pentyl]prop-2-ynyl] ester Formula: C13H20O4 MolecularWeight: 240.2955

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(C#C)OC(=O)CC(=O)C)O

Isomeric SMILES

CC(C)C[C@H](C[C@@H](C#C)OC(=O)CC(=O)C)O

InChI

InChI=1S/C13H20O4/c1-5-12(8-11(15)6-9(2)3)17-13(16)7-10(4)14/h1,9,11-12,15H,6-8H2,2-4H3/t11-,12-/m1/s1