methyl (3R,4S,5R)-4,5-diacetyloxy-3-phosphonooxy-cyclohexene-1-carboxylate

Systemtic Name: methyl (3R,4S,5R)-4,5-diacetyloxy-3-phosphonooxy-cyclohexene-1-carboxylate Openeye Name: methyl (3R,4S,5R)-4,5-diacetoxy-3-phosphonooxy-cyclohexene-1-carboxylate CAS Name: (3R,4S,5R)-4,5-diacetyloxy-3-phosphonooxy-1-cyclohexenecarboxylic acid methyl ester IUPAC Name: methyl (3R,4S,5R)-4,5-diacetyloxy-3-phosphonooxycyclohexene-1-carboxylate Traditional Name: (3R,4S,5R)-4,5-diacetoxy-3-phosphonooxy-cyclohexene-1-carboxylic acid methyl ester Formula: C12H17O10P MolecularWeight: 352.231141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17O10P/c1-6(13)20-9-4-8(12(15)19-3)5-10(22-23(16,17)18)11(9)21-7(2)14/h5,9-11H,4H2,1-3H3,(H2,16,17,18)/t9-,10-,11+/m1/s1