[(E,2S,3R)-2-oxidanyl-6-oxidanylidene-hex-4-en-3-yl] ethanoate

Systemtic Name: [(E,2S,3R)-2-oxidanyl-6-oxidanylidene-hex-4-en-3-yl] ethanoate Openeye Name: [(E,1R)-1-[(1S)-1-hydroxyethyl]-4-oxo-but-2-enyl] acetate CAS Name: acetic acid [(E,2S,3R)-2-hydroxy-6-oxohex-4-en-3-yl] ester IUPAC Name: [(E,2S,3R)-2-hydroxy-6-oxohex-4-en-3-yl] acetate Traditional Name: acetic acid [(E,1R)-1-[(1S)-1-hydroxyethyl]-4-keto-but-2-enyl] ester Formula: C8H12O4 MolecularWeight: 172.17848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12O4/c1-6(10)8(4-3-5-9)12-7(2)11/h3-6,8,10H,1-2H3/b4-3+/t6-,8+/m0/s1