[(4S,5R)-5-acetyloxy-10-oxidanyl-1,6-bis(oxidanylidene)dec-2-yn-4-yl] ethanoate

Systemtic Name: [(4S,5R)-5-acetyloxy-10-oxidanyl-1,6-bis(oxidanylidene)dec-2-yn-4-yl] ethanoate Openeye Name: [(1S,2R)-2-acetoxy-7-hydroxy-3-oxo-1-(3-oxoprop-1-ynyl)heptyl] acetate CAS Name: acetic acid [(4S,5R)-5-acetyloxy-10-hydroxy-1,6-dioxodec-2-yn-4-yl] ester IUPAC Name: [(4S,5R)-5-acetyloxy-10-hydroxy-1,6-dioxodec-2-yn-4-yl] acetate Traditional Name: acetic acid [(1S)-1-[(1R)-1-acetoxy-6-hydroxy-2-keto-hexyl]-4-keto-but-2-ynyl] ester Formula: C14H18O7 MolecularWeight: 298.28852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O7/c1-10(17)20-13(7-5-9-16)14(21-11(2)18)12(19)6-3-4-8-15/h9,13-15H,3-4,6,8H2,1-2H3/t13-,14-/m0/s1