[(1S,2S,3R,4R)-3-[(1S)-1-oxidanyl-3-oxidanylidene-butyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methyl ethanoate

Systemtic Name: [(1S,2S,3R,4R)-3-[(1S)-1-oxidanyl-3-oxidanylidene-butyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methyl ethanoate Openeye Name: [(1S,2S,3R,4R)-3-[(1S)-1-hydroxy-3-oxo-butyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methyl acetate CAS Name: acetic acid [(1S,2S,3R,4R)-3-[(1S)-1-hydroxy-3-oxobutyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methyl ester IUPAC Name: [(1S,2S,3R,4R)-3-[(1S)-1-hydroxy-3-oxobutyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methyl acetate Traditional Name: acetic acid [(1S,2S,3R,4R)-3-[(1S)-1-hydroxy-3-keto-butyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methyl ester Formula: C13H18O5 MolecularWeight: 254.27902

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C1C2C=CC(C1COC(=O)C)O2)O

Isomeric SMILES

CC(=O)C[C@@H]([C@@H]1[C@H]2C=C[C@@H]([C@@H]1COC(=O)C)O2)O

InChI

InChI=1S/C13H18O5/c1-7(14)5-10(16)13-9(6-17-8(2)15)11-3-4-12(13)18-11/h3-4,9-13,16H,5-6H2,1-2H3/t9-,10-,11-,12+,13+/m0/s1