[(3R,4R,5S)-3,4,5-tris(oxidanyl)-6-oxidanylidene-cyclohexen-1-yl]methyl ethanoate

Systemtic Name: [(3R,4R,5S)-3,4,5-tris(oxidanyl)-6-oxidanylidene-cyclohexen-1-yl]methyl ethanoate Openeye Name: [(3R,4R,5S)-3,4,5-trihydroxy-6-oxo-cyclohexen-1-yl]methyl acetate CAS Name: acetic acid [(3R,4R,5S)-3,4,5-trihydroxy-6-oxo-1-cyclohexenyl]methyl ester IUPAC Name: [(3R,4R,5S)-3,4,5-trihydroxy-6-oxocyclohexen-1-yl]methyl acetate Traditional Name: acetic acid [(3R,4R,5S)-3,4,5-trihydroxy-6-keto-cyclohexen-1-yl]methyl ester Formula: C9H12O6 MolecularWeight: 216.18798

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC(C(C(C1=O)O)O)O

Isomeric SMILES

CC(=O)OCC1=C[C@H]([C@H]([C@@H](C1=O)O)O)O

InChI

InChI=1S/C9H12O6/c1-4(10)15-3-5-2-6(11)8(13)9(14)7(5)12/h2,6,8-9,11,13-14H,3H2,1H3/t6-,8-,9-/m1/s1