[azepan-1-ium-1-yl(phosphono)methyl]phosphonic acid

Systemtic Name: [azepan-1-ium-1-yl(phosphono)methyl]phosphonic acid Openeye Name: [azepan-1-ium-1-yl(phosphono)methyl]phosphonic acid CAS Name: [1-azepan-1-iumyl(phosphono)methyl]phosphonic acid IUPAC Name: [azepan-1-ium-1-yl(phosphono)methyl]phosphonic acid Traditional Name: [azepan-1-ium-1-yl(phosphono)methyl]phosphonic acid Formula: C7H18NO6P2+ MolecularWeight: 274.168442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1CCC[NH+](CC1)C(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C7H17NO6P2/c9-15(10,11)7(16(12,13)14)8-5-3-1-2-4-6-8/h7H,1-6H2,(H2,9,10,11)(H2,12,13,14)/p+1