[(3R,4R,5R)-4,7-dimethyl-5-oxidanyl-oct-1-yn-3-yl] ethanoate

Systemtic Name: [(3R,4R,5R)-4,7-dimethyl-5-oxidanyl-oct-1-yn-3-yl] ethanoate Openeye Name: [(1R,2R,3R)-1-ethynyl-3-hydroxy-2,5-dimethyl-hexyl] acetate CAS Name: acetic acid [(3R,4R,5R)-5-hydroxy-4,7-dimethyloct-1-yn-3-yl] ester IUPAC Name: [(3R,4R,5R)-5-hydroxy-4,7-dimethyloct-1-yn-3-yl] acetate Traditional Name: acetic acid [(1R)-1-[(1R,2R)-2-hydroxy-1,4-dimethyl-pentyl]prop-2-ynyl] ester Formula: C12H20O3 MolecularWeight: 212.2854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20O3/c1-6-12(15-10(5)13)9(4)11(14)7-8(2)3/h1,8-9,11-12,14H,7H2,2-5H3/t9-,11-,12+/m1/s1