(2,4,6-tricyano-3,5-diphosphonooxy-phenyl) dihydrogen phosphate

Systemtic Name: (2,4,6-tricyano-3,5-diphosphonooxy-phenyl) dihydrogen phosphate Openeye Name: (2,4,6-tricyano-3,5-diphosphonooxy-phenyl) dihydrogen phosphate CAS Name: (2,4,6-tricyano-3,5-diphosphonooxyphenyl) dihydrogen phosphate IUPAC Name: (2,4,6-tricyano-3,5-diphosphonooxyphenyl) dihydrogen phosphate Traditional Name: (2,4,6-tricyano-3,5-diphosphonooxy-phenyl) dihydrogen phosphate Formula: C9H6N3O12P3 MolecularWeight: 441.078123

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Descriptors Computed from Structure

Canonical SMILES:

C(#N)C1=C(C(=C(C(=C1OP(=O)(O)O)C#N)OP(=O)(O)O)C#N)OP(=O)(O)O

Isomeric SMILES

C(#N)C1=C(C(=C(C(=C1OP(=O)(O)O)C#N)OP(=O)(O)O)C#N)OP(=O)(O)O

InChI

InChI=1S/C9H6N3O12P3/c10-1-4-7(22-25(13,14)15)5(2-11)9(24-27(19,20)21)6(3-12)8(4)23-26(16,17)18/h(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)