(2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate; pyridine-3-carboxamide

Systemtic Name: (2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate; pyridine-3-carboxamide Openeye Name: (2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate; pyridine-3-carboxamide CAS Name: (2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate; 3-pyridinecarboxamide IUPAC Name: (2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate; pyridine-3-carboxamide Traditional Name: nicotinamide; (2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate Formula: C12H24N2O25P6 MolecularWeight: 782.159926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)N.C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O

Isomeric SMILES

C1=CC(=CN=C1)C(=O)N.C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O

InChI

InChI=1S/C6H6N2O.C6H18O24P6/c7-6(9)5-2-1-3-8-4-5;7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-4H,(H2,7,9);1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)