disodium 2-[4-(1-oxidanidyl-4-oxidanyl-1-oxidanylidene-butan-2-yl)-1,4-diazepan-1-yl]-4-oxidanyl-butanoate

Systemtic Name: disodium 2-[4-(1-oxidanidyl-4-oxidanyl-1-oxidanylidene-butan-2-yl)-1,4-diazepan-1-yl]-4-oxidanyl-butanoate Openeye Name: disodium 2-[4-(1-carboxylato-3-hydroxy-propyl)-1,4-diazepan-1-yl]-4-hydroxy-butanoate CAS Name: disodium 4-hydroxy-2-[4-(4-hydroxy-1-oxido-1-oxobutan-2-yl)-1,4-diazepan-1-yl]butanoate IUPAC Name: disodium 4-hydroxy-2-[4-(4-hydroxy-1-oxido-1-oxobutan-2-yl)-1,4-diazepan-1-yl]butanoate Traditional Name: disodium 2-[4-(1-carboxylato-3-hydroxy-propyl)-1,4-diazepan-1-yl]-4-hydroxy-butyrate Formula: C13H22N2Na2O6 MolecularWeight: 348.30312

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(CCO)C(=O)[O-])C(CCO)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1CN(CCN(C1)C(CCO)C(=O)[O-])C(CCO)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C13H24N2O6.2Na/c16-8-2-10(12(18)19)14-4-1-5-15(7-6-14)11(3-9-17)13(20)21;;/h10-11,16-17H,1-9H2,(H,18,19)(H,20,21);;/q;2*+1/p-2