[1,3-dicyano-2,2-bis(hydroxymethyl)-3-oxidanyl-1-phosphonato-propyl] phosphate

Systemtic Name: [1,3-dicyano-2,2-bis(hydroxymethyl)-3-oxidanyl-1-phosphonato-propyl] phosphate Openeye Name: [1,3-dicyano-3-hydroxy-2,2-bis(hydroxymethyl)-1-phosphonato-propyl] phosphate CAS Name: [1,3-dicyano-3-hydroxy-2,2-bis(hydroxymethyl)-1-phosphonatopropyl] phosphate IUPAC Name: [1,3-dicyano-3-hydroxy-2,2-bis(hydroxymethyl)-1-phosphonatopropyl] phosphate Traditional Name: (1,3-dicyano-3-hydroxy-2,2-dimethylol-1-phosphonato-propyl) phosphate Formula: C7H8N2O10P2-4 MolecularWeight: 342.093342

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Descriptors Computed from Structure

Canonical SMILES:

C(C(CO)(C(C#N)O)C(C#N)(OP(=O)([O-])[O-])P(=O)([O-])[O-])O

Isomeric SMILES

C(C(CO)(C(C#N)O)C(C#N)(OP(=O)([O-])[O-])P(=O)([O-])[O-])O

InChI

InChI=1S/C7H12N2O10P2/c8-1-5(12)6(3-10,4-11)7(2-9,20(13,14)15)19-21(16,17)18/h5,10-12H,3-4H2,(H2,13,14,15)(H2,16,17,18)/p-4