(1-phosphonoazepan-1-ium-1-yl)phosphonic acid

Systemtic Name: (1-phosphonoazepan-1-ium-1-yl)phosphonic acid Openeye Name: (1-phosphonoazepan-1-ium-1-yl)phosphonic acid CAS Name: (1-phosphono-1-azepan-1-iumyl)phosphonic acid IUPAC Name: (1-phosphonoazepan-1-ium-1-yl)phosphonic acid Traditional Name: (1-phosphonoazepan-1-ium-1-yl)phosphonic acid Formula: C6H16NO6P2+ MolecularWeight: 260.141862

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[N+](CC1)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1CCC[N+](CC1)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C6H15NO6P2/c8-14(9,10)7(15(11,12)13)5-3-1-2-4-6-7/h1-6H2,(H3-,8,9,10,11,12,13)/p+1