1-chloranyl-2-(1,2-diazocan-1-yl)-1,2-diazocane trihydrate

Systemtic Name: 1-chloranyl-2-(1,2-diazocan-1-yl)-1,2-diazocane trihydrate Openeye Name: 1-chloro-2-(diazocan-1-yl)diazocane trihydrate CAS Name: 1-chloro-2-(1-diazocanyl)diazocane trihydrate IUPAC Name: 1-chloro-2-(diazocan-1-yl)diazocane trihydrate Traditional Name: 1-chloro-2-(diazocan-1-yl)diazocane trihydrate Formula: C12H31ClN4O3 MolecularWeight: 314.85254

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(NCC1)N2CCCCCCN2Cl.O.O.O

Isomeric SMILES

C1CCCN(NCC1)N2CCCCCCN2Cl.O.O.O

InChI

InChI=1S/C12H25ClN4.3H2O/c13-15-10-6-3-4-8-12-17(15)16-11-7-2-1-5-9-14-16;;;/h14H,1-12H2;3*1H2