dodecaoxidanium; lanthanum(3+); 2-[2-[[4-[[1-(2-oxidanidyl-2-oxidanyl-ethyl)pyridin-1-ium-2-yl]methoxy]phenoxy]methyl]pyridin-1-ium-1-yl]-1-oxidanyl-ethanolate; hydroxide; hydrate

Systemtic Name: dodecaoxidanium; lanthanum(3+); 2-[2-[[4-[[1-(2-oxidanidyl-2-oxidanyl-ethyl)pyridin-1-ium-2-yl]methoxy]phenoxy]methyl]pyridin-1-ium-1-yl]-1-oxidanyl-ethanolate; hydroxide; hydrate Openeye Name: dodecaoxonium; 1-hydroxy-2-[2-[[4-[[1-(2-hydroxy-2-oxido-ethyl)pyridin-1-ium-2-yl]methoxy]phenoxy]methyl]pyridin-1-ium-1-yl]ethanolate; lanthanum(3+); hydroxide; hydrate CAS Name: dodecaoxonium; 1-hydroxy-2-[2-[[4-[[1-(2-hydroxy-2-oxidoethyl)-2-pyridin-1-iumyl]methoxy]phenoxy]methyl]-1-pyridin-1-iumyl]ethanolate; lanthanum(3+); hydroxide; hydrate IUPAC Name: dodecaoxidanium; 1-hydroxy-2-[2-[[4-[[1-(2-hydroxy-2-oxidoethyl)pyridin-1-ium-2-yl]methoxy]phenoxy]methyl]pyridin-1-ium-1-yl]ethanolate; lanthanum(3+); hydroxide; hydrate Traditional Name: dodecaoxonium; 1-hydroxy-2-[2-[[4-[[1-(2-hydroxy-2-oxido-ethyl)pyridin-1-ium-2-yl]methoxy]phenoxy]methyl]pyridin-1-ium-1-yl]ethanolate; lanthanum(3+); hydroxide; hydrate Formula: C44H87La3N4O26+20 MolecularWeight: 1504.88928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)COC2=CC=C(C=C2)OCC3=CC=CC=[N+]3CC(O)[O-])CC(O)[O-].C1=CC=[N+](C(=C1)COC2=CC=C(C=C2)OCC3=CC=CC=[N+]3CC(O)[O-])CC(O)[O-].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].O.[OH-].[La+3].[La+3].[La+3]

Isomeric SMILES

C1=CC=[N+](C(=C1)COC2=CC=C(C=C2)OCC3=CC=CC=[N+]3CC(O)[O-])CC(O)[O-].C1=CC=[N+](C(=C1)COC2=CC=C(C=C2)OCC3=CC=CC=[N+]3CC(O)[O-])CC(O)[O-].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].O.[OH-].[La+3].[La+3].[La+3]

InChI

InChI=1S/2C22H24N2O6.3La.14H2O/c2*25-21(26)13-23-11-3-1-5-17(23)15-29-19-7-9-20(10-8-19)30-16-18-6-2-4-12-24(18)14-22(27)28;;;;;;;;;;;;;;;;;/h2*1-12,21-22,25,27H,13-16H2;;;;14*1H2/q;;3*+3;;;;;;;;;;;;;;/p+11