(2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate; sodium; hydrate

Systemtic Name: (2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate; sodium; hydrate Openeye Name: (2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate; sodium; hydrate CAS Name: (2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate; sodium; hydrate IUPAC Name: (2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate; sodium; hydrate Traditional Name: (2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate; sodium; hydrate Formula: C6H20NaO25P6 MolecularWeight: 701.040336

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Descriptors Computed from Structure

Canonical SMILES:

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.O.[Na]

Isomeric SMILES

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.O.[Na]

InChI

InChI=1S/C6H18O24P6.Na.H2O/c7-31(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;;/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);;1H2