(3R,4S,5S)-3,4,5-triacetyloxycyclohexene-1-carboxylic acid

Systemtic Name: (3R,4S,5S)-3,4,5-triacetyloxycyclohexene-1-carboxylic acid Openeye Name: (3R,4S,5S)-3,4,5-triacetoxycyclohexene-1-carboxylic acid CAS Name: (3R,4S,5S)-3,4,5-triacetyloxy-1-cyclohexenecarboxylic acid IUPAC Name: (3R,4S,5S)-3,4,5-triacetyloxycyclohexene-1-carboxylic acid Traditional Name: (3R,4S,5S)-3,4,5-triacetoxycyclohexene-1-carboxylic acid Formula: C13H16O8 MolecularWeight: 300.26134

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(=CC(C1OC(=O)C)OC(=O)C)C(=O)O

Isomeric SMILES

CC(=O)O[C@H]1CC(=C[C@H]([C@H]1OC(=O)C)OC(=O)C)C(=O)O

InChI

InChI=1S/C13H16O8/c1-6(14)19-10-4-9(13(17)18)5-11(20-7(2)15)12(10)21-8(3)16/h4,10-12H,5H2,1-3H3,(H,17,18)/t10-,11+,12-/m1/s1