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disodium (1-phosphonatoazepan-2-yl)phosphonic acid

disodium (1-phosphonatoazepan-2-yl)phosphonic acid

Systemtic Name:disodium (1-phosphonatoazepan-2-yl)phosphonic acid
Openeye Name:disodium (1-phosphonatoazepan-2-yl)phosphonic acid
CAS Name:disodium (1-phosphonato-2-azepanyl)phosphonic acid
IUPAC Name:disodium (1-phosphonatoazepan-2-yl)phosphonic acid
Traditional Name:disodium (1-phosphonatoazepan-2-yl)phosphonic acid
Formula: C6H13NNa2O6P2
MolecularWeight: 303.097582
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(N(CC1)P(=O)([O-])[O-])P(=O)(O)O.[Na+].[Na+]


Isomeric SMILES

C1CCC(N(CC1)P(=O)([O-])[O-])P(=O)(O)O.[Na+].[Na+]


InChI

InChI=1S/C6H15NO6P2.2Na/c8-14(9,10)6-4-2-1-3-5-7(6)15(11,12)13;;/h6H,1-5H2,(H2,8,9,10)(H2,11,12,13);;/q;2*+1/p-2


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