disodium 5-[[4-[(3-oxidanidyl-3-oxidanylidene-propyl)carbamoyl]cyclohexyl]diazenyl]-2-oxidanyl-cyclohexane-1-carboxylate dihydrate

Systemtic Name: disodium 5-[[4-[(3-oxidanidyl-3-oxidanylidene-propyl)carbamoyl]cyclohexyl]diazenyl]-2-oxidanyl-cyclohexane-1-carboxylate dihydrate Openeye Name: disodium 2-hydroxy-5-[4-[(3-oxido-3-oxo-propyl)carbamoyl]cyclohexyl]azo-cyclohexanecarboxylate dihydrate CAS Name: disodium 2-hydroxy-5-[4-[[(3-oxido-3-oxopropyl)amino]-oxomethyl]cyclohexyl]azo-1-cyclohexanecarboxylate dihydrate IUPAC Name: disodium 2-hydroxy-5-[[4-[(3-oxido-3-oxopropyl)carbamoyl]cyclohexyl]diazenyl]cyclohexane-1-carboxylate dihydrate Traditional Name: disodium 2-hydroxy-5-[4-[(3-keto-3-oxido-propyl)carbamoyl]cyclohexyl]azo-cyclohexanecarboxylate dihydrate Formula: C17H29N3Na2O8 MolecularWeight: 449.407

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)NCCC(=O)[O-])N=NC2CCC(C(C2)C(=O)[O-])O.O.O.[Na+].[Na+]

Isomeric SMILES

C1CC(CCC1C(=O)NCCC(=O)[O-])N=NC2CCC(C(C2)C(=O)[O-])O.O.O.[Na+].[Na+]

InChI

InChI=1S/C17H27N3O6.2Na.2H2O/c21-14-6-5-12(9-13(14)17(25)26)20-19-11-3-1-10(2-4-11)16(24)18-8-7-15(22)23;;;;/h10-14,21H,1-9H2,(H,18,24)(H,22,23)(H,25,26);;;2*1H2/q;2*+1;;/p-2