trisodium 6-[[4,6-bis[(6-oxidanidyl-6-oxidanylidene-hexyl)amino]-1,3,5-triazin-2-yl]amino]hexanoate

Systemtic Name: trisodium 6-[[4,6-bis[(6-oxidanidyl-6-oxidanylidene-hexyl)amino]-1,3,5-triazin-2-yl]amino]hexanoate Openeye Name: trisodium 6-[[4,6-bis[(6-oxido-6-oxo-hexyl)amino]-1,3,5-triazin-2-yl]amino]hexanoate CAS Name: trisodium 6-[[4,6-bis[(6-oxido-6-oxohexyl)amino]-1,3,5-triazin-2-yl]amino]hexanoate IUPAC Name: trisodium 6-[[4,6-bis[(6-oxido-6-oxohexyl)amino]-1,3,5-triazin-2-yl]amino]hexanoate Traditional Name: trisodium 6-[[4,6-bis[(6-keto-6-oxido-hexyl)amino]-s-triazin-2-yl]amino]hexanoate Formula: C21H33N6Na3O6 MolecularWeight: 534.49263

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Descriptors Computed from Structure

Canonical SMILES:

C(CCC(=O)[O-])CCNC1=NC(=NC(=N1)NCCCCCC(=O)[O-])NCCCCCC(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C(CCC(=O)[O-])CCNC1=NC(=NC(=N1)NCCCCCC(=O)[O-])NCCCCCC(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C21H36N6O6.3Na/c28-16(29)10-4-1-7-13-22-19-25-20(23-14-8-2-5-11-17(30)31)27-21(26-19)24-15-9-3-6-12-18(32)33;;;/h1-15H2,(H,28,29)(H,30,31)(H,32,33)(H3,22,23,24,25,26,27);;;/q;3*+1/p-3