(3R,4S,5R)-4-oxidanyl-5-(1-oxidanyl-1-oxidanylidene-propan-2-yl)oxy-3-phosphonooxy-cyclohexene-1-carboxylic acid

Systemtic Name: (3R,4S,5R)-4-oxidanyl-5-(1-oxidanyl-1-oxidanylidene-propan-2-yl)oxy-3-phosphonooxy-cyclohexene-1-carboxylic acid Openeye Name: (3R,4S,5R)-4-hydroxy-5-(2-hydroxy-1-methyl-2-oxo-ethoxy)-3-phosphonooxy-cyclohexene-1-carboxylic acid CAS Name: (3R,4S,5R)-4-hydroxy-5-(1-hydroxy-1-oxopropan-2-yl)oxy-3-phosphonooxy-1-cyclohexenecarboxylic acid IUPAC Name: (3R,4S,5R)-4-hydroxy-5-(1-hydroxy-1-oxopropan-2-yl)oxy-3-phosphonooxycyclohexene-1-carboxylic acid Traditional Name: (3R,4S,5R)-4-hydroxy-5-(2-hydroxy-2-keto-1-methyl-ethoxy)-3-phosphonooxy-cyclohexene-1-carboxylic acid Formula: C10H15O10P MolecularWeight: 326.193861

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1CC(=CC(C1O)OP(=O)(O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C10H15O10P/c1-4(9(12)13)19-6-2-5(10(14)15)3-7(8(6)11)20-21(16,17)18/h3-4,6-8,11H,2H2,1H3,(H,12,13)(H,14,15)(H2,16,17,18)/t4?,6-,7-,8+/m1/s1