sodium (6-azanyl-1-oxidanyl-1-phosphono-hexyl)-oxidanyl-phosphinate trihydrate

Systemtic Name: sodium (6-azanyl-1-oxidanyl-1-phosphono-hexyl)-oxidanyl-phosphinate trihydrate Openeye Name: sodium (6-amino-1-hydroxy-1-phosphono-hexyl)-hydroxy-phosphinate trihydrate CAS Name: sodium (6-amino-1-hydroxy-1-phosphonohexyl)-hydroxyphosphinate trihydrate IUPAC Name: sodium (6-amino-1-hydroxy-1-phosphonohexyl)-hydroxyphosphinate trihydrate Traditional Name: sodium (6-amino-1-hydroxy-1-phosphono-hexyl)-hydroxy-phosphinate trihydrate Formula: C6H22NNaO10P2 MolecularWeight: 353.176872

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Descriptors Computed from Structure

Canonical SMILES:

C(CCC(O)(P(=O)(O)O)P(=O)(O)[O-])CCN.O.O.O.[Na+]

Isomeric SMILES

C(CCC(O)(P(=O)(O)O)P(=O)(O)[O-])CCN.O.O.O.[Na+]

InChI

InChI=1S/C6H17NO7P2.Na.3H2O/c7-5-3-1-2-4-6(8,15(9,10)11)16(12,13)14;;;;/h8H,1-5,7H2,(H2,9,10,11)(H2,12,13,14);;3*1H2/q;+1;;;/p-1