bromanylnickel; 1,4,16,19-tetraoxa-7,10,13,22,25,28-hexazacyclotriacontane; tetrahydrate

Systemtic Name: bromanylnickel; 1,4,16,19-tetraoxa-7,10,13,22,25,28-hexazacyclotriacontane; tetrahydrate Openeye Name: bromonickel; 1,4,16,19-tetraoxa-7,10,13,22,25,28-hexazacyclotriacontane; tetrahydrate CAS Name: bromonickel; 1,4,16,19-tetraoxa-7,10,13,22,25,28-hexazacyclotriacontane; tetrahydrate IUPAC Name: bromonickel; 1,4,16,19-tetraoxa-7,10,13,22,25,28-hexazacyclotriacontane; tetrahydrate Traditional Name: bromonickel; 1,4,16,19-tetraoxa-7,10,13,22,25,28-hexazacyclotriacontane; tetrahydrate Formula: C20H54Br2N6Ni2O8 MolecularWeight: 783.87296

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCOCCOCCNCCNCCNCCOCCOCCNCCN1.O.O.O.O.[Ni]Br.[Ni]Br

Isomeric SMILES

C1CNCCOCCOCCNCCNCCNCCOCCOCCNCCN1.O.O.O.O.[Ni]Br.[Ni]Br

InChI

InChI=1S/C20H46N6O4.2BrH.2Ni.4H2O/c1-5-23-9-13-27-17-18-29-15-11-25-7-3-22-4-8-26-12-16-30-20-19-28-14-10-24-6-2-21-1;;;;;;;;/h21-26H,1-20H2;2*1H;;;4*1H2/q;;;2*+1;;;;/p-2