[(E,4R,5R)-5-oxidanyl-1-oxidanylidene-dec-2-en-4-yl] ethanoate

Systemtic Name: [(E,4R,5R)-5-oxidanyl-1-oxidanylidene-dec-2-en-4-yl] ethanoate Openeye Name: [(1R,2R)-2-hydroxy-1-[(E)-3-oxoprop-1-enyl]heptyl] acetate CAS Name: acetic acid [(E,4R,5R)-5-hydroxy-1-oxodec-2-en-4-yl] ester IUPAC Name: [(E,4R,5R)-5-hydroxy-1-oxodec-2-en-4-yl] acetate Traditional Name: acetic acid [(E,1R)-1-[(1R)-1-hydroxyhexyl]-4-keto-but-2-enyl] ester Formula: C12H20O4 MolecularWeight: 228.2848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C=CC=O)OC(=O)C)O

Isomeric SMILES

CCCCC[C@H]([C@@H](/C=C/C=O)OC(=O)C)O

InChI

InChI=1S/C12H20O4/c1-3-4-5-7-11(15)12(8-6-9-13)16-10(2)14/h6,8-9,11-12,15H,3-5,7H2,1-2H3/b8-6+/t11-,12-/m1/s1