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

Systemtic Name: 4-oxidanyl-5-(1-oxidanyl-1-oxidanylidene-2-phosphonooxy-propan-2-yl)oxy-3-phosphonooxy-cyclohexene-1-carboxylic acid Openeye Name: 4-hydroxy-5-(2-hydroxy-1-methyl-2-oxo-1-phosphonooxy-ethoxy)-3-phosphonooxy-cyclohexene-1-carboxylic acid CAS Name: 4-hydroxy-5-(1-hydroxy-1-oxo-2-phosphonooxypropan-2-yl)oxy-3-phosphonooxy-1-cyclohexenecarboxylic acid IUPAC Name: 4-hydroxy-5-(1-hydroxy-1-oxo-2-phosphonooxypropan-2-yl)oxy-3-phosphonooxycyclohexene-1-carboxylic acid Traditional Name: 4-hydroxy-5-(2-hydroxy-2-keto-1-methyl-1-phosphonooxy-ethoxy)-3-phosphonooxy-cyclohexene-1-carboxylic acid Formula: C10H16O14P2 MolecularWeight: 422.173162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H16O14P2/c1-10(9(14)15,24-26(19,20)21)22-5-2-4(8(12)13)3-6(7(5)11)23-25(16,17)18/h3,5-7,11H,2H2,1H3,(H,12,13)(H,14,15)(H2,16,17,18)(H2,19,20,21)