[2-(acetyloxymethyl)-6-[[2,4-bis(diazonioazanidyl)-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]-5-diazonioazanidyl-4-phenylmethoxy-oxan-3-yl]-diazonio-azanide

Systemtic Name: [2-(acetyloxymethyl)-6-[[2,4-bis(diazonioazanidyl)-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]-5-diazonioazanidyl-4-phenylmethoxy-oxan-3-yl]-diazonio-azanide Openeye Name: [2-(acetoxymethyl)-4-benzyloxy-6-[[2,4-bis(diazonioazanidyl)-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]-5-diazonioazanidyl-tetrahydropyran-3-yl]-diazonio-azanide CAS Name: [2-(acetyloxymethyl)-6-[[2,4-bis(diazonioazanidyl)-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]-5-diazonioazanidyl-4-phenylmethoxy-3-oxanyl]-diazonioazanide IUPAC Name: [2-(acetyloxymethyl)-6-[[2,4-bis(diazonioazanidyl)-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]-5-diazonioazanidyl-4-phenylmethoxyoxan-3-yl]-diazonioazanide Traditional Name: [2-(acetoxymethyl)-4-benzoxy-6-[[2,4-bis(diazonioazanidyl)-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]-5-diazonioazanidyl-tetrahydropyran-3-yl]-diazonio-azanide Formula: C21H24N12O7 MolecularWeight: 556.49146

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC2C(C3COC(C2[N-][N+]#N)O3)[N-][N+]#N)[N-][N+]#N)OCC4=CC=CC=C4)[N-][N+]#N

Isomeric SMILES

CC(=O)OCC1C(C(C(C(O1)OC2C(C3COC(C2[N-][N+]#N)O3)[N-][N+]#N)[N-][N+]#N)OCC4=CC=CC=C4)[N-][N+]#N

InChI

InChI=1S/C21H24N12O7/c1-10(34)35-8-12-14(26-30-22)18(36-7-11-5-3-2-4-6-11)16(28-32-24)21(39-12)40-19-15(27-31-23)13-9-37-20(38-13)17(19)29-33-25/h2-6,12-21H,7-9H2,1H3