methyl (3S,4S,5R)-3,4,5-triacetyloxy-2-chloranyl-cyclohexene-1-carboxylate

Systemtic Name: methyl (3S,4S,5R)-3,4,5-triacetyloxy-2-chloranyl-cyclohexene-1-carboxylate Openeye Name: methyl (3S,4S,5R)-3,4,5-triacetoxy-2-chloro-cyclohexene-1-carboxylate CAS Name: (3S,4S,5R)-3,4,5-triacetyloxy-2-chloro-1-cyclohexenecarboxylic acid methyl ester IUPAC Name: methyl (3S,4S,5R)-3,4,5-triacetyloxy-2-chlorocyclohexene-1-carboxylate Traditional Name: (3S,4S,5R)-3,4,5-triacetoxy-2-chloro-cyclohexene-1-carboxylic acid methyl ester Formula: C14H17ClO8 MolecularWeight: 348.73298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClO8/c1-6(16)21-10-5-9(14(19)20-4)11(15)13(23-8(3)18)12(10)22-7(2)17/h10,12-13H,5H2,1-4H3/t10-,12+,13-/m1/s1