tetrasodium; azepane; phosphonato phosphate

Systemtic Name: tetrasodium; azepane; phosphonato phosphate Openeye Name: tetrasodium; azepane; phosphonato phosphate CAS Name: tetrasodium; azepane; phosphonato phosphate IUPAC Name: tetrasodium; azepane; phosphonato phosphate Traditional Name: tetrasodium; azepane; phosphonato phosphate Formula: C6H13NNa4O7P2 MolecularWeight: 365.076522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCNCC1.[O-]P(=O)([O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1CCCNCC1.[O-]P(=O)([O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C6H13N.4Na.H4O7P2/c1-2-4-6-7-5-3-1;;;;;1-8(2,3)7-9(4,5)6/h7H,1-6H2;;;;;(H2,1,2,3)(H2,4,5,6)/q;4*+1;/p-4