disodium (2-phosphonatoazepan-2-yl)phosphonic acid

Systemtic Name: disodium (2-phosphonatoazepan-2-yl)phosphonic acid Openeye Name: disodium (2-phosphonatoazepan-2-yl)phosphonic acid CAS Name: disodium (2-phosphonato-2-azepanyl)phosphonic acid IUPAC Name: disodium (2-phosphonatoazepan-2-yl)phosphonic acid Traditional Name: disodium (2-phosphonatoazepan-2-yl)phosphonic acid Formula: C6H13NNa2O6P2 MolecularWeight: 303.097582

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(NCC1)(P(=O)(O)O)P(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

C1CCC(NCC1)(P(=O)(O)O)P(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C6H15NO6P2.2Na/c8-14(9,10)6(15(11,12)13)4-2-1-3-5-7-6;;/h7H,1-5H2,(H2,8,9,10)(H2,11,12,13);;/q;2*+1/p-2