trisodium 2-[4,7-bis(1-oxidanidyl-4-oxidanyl-1-oxidanylidene-butan-2-yl)-1,4,7-triazonan-1-yl]-4-oxidanyl-butanoate

Systemtic Name: trisodium 2-[4,7-bis(1-oxidanidyl-4-oxidanyl-1-oxidanylidene-butan-2-yl)-1,4,7-triazonan-1-yl]-4-oxidanyl-butanoate Openeye Name: trisodium 2-[4,7-bis(1-carboxylato-3-hydroxy-propyl)-1,4,7-triazonan-1-yl]-4-hydroxy-butanoate CAS Name: trisodium 2-[4,7-bis(4-hydroxy-1-oxido-1-oxobutan-2-yl)-1,4,7-triazonan-1-yl]-4-hydroxybutanoate IUPAC Name: trisodium 2-[4,7-bis(4-hydroxy-1-oxido-1-oxobutan-2-yl)-1,4,7-triazonan-1-yl]-4-hydroxybutanoate Traditional Name: trisodium 2-[4,7-bis(1-carboxylato-3-hydroxy-propyl)-1,4,7-triazonan-1-yl]-4-hydroxy-butyrate Formula: C18H30N3Na3O9 MolecularWeight: 501.41481

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN1C(CCO)C(=O)[O-])C(CCO)C(=O)[O-])C(CCO)C(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1CN(CCN(CCN1C(CCO)C(=O)[O-])C(CCO)C(=O)[O-])C(CCO)C(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C18H33N3O9.3Na/c22-10-1-13(16(25)26)19-4-6-20(14(2-11-23)17(27)28)8-9-21(7-5-19)15(3-12-24)18(29)30;;;/h13-15,22-24H,1-12H2,(H,25,26)(H,27,28)(H,29,30);;;/q;3*+1/p-3