3-dodecoxycarbonyl-4-nitro-benzenediazonium tetratetrafluoroborate

Systemtic Name: 3-dodecoxycarbonyl-4-nitro-benzenediazonium tetratetrafluoroborate Openeye Name: 3-dodecoxycarbonyl-4-nitro-benzenediazonium tetratetrafluoroborate CAS Name: 3-[dodecoxy(oxo)methyl]-4-nitrobenzenediazonium tetratetrafluoroborate IUPAC Name: 3-dodecoxycarbonyl-4-nitrobenzenediazonium tetratetrafluoroborate Traditional Name: 3-lauryloxycarbonyl-4-nitro-benzenediazonium tetratetrafluoroborate Formula: C19H28B4F16N3O4-3 MolecularWeight: 709.661771

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.[B-](F)(F)(F)F.[B-](F)(F)(F)F.[B-](F)(F)(F)F.CCCCCCCCCCCCOC(=O)C1=C(C=CC(=C1)[N+]#N)[N+](=O)[O-]

Isomeric SMILES

[B-](F)(F)(F)F.[B-](F)(F)(F)F.[B-](F)(F)(F)F.[B-](F)(F)(F)F.CCCCCCCCCCCCOC(=O)C1=C(C=CC(=C1)[N+]#N)[N+](=O)[O-]

InChI

InChI=1S/C19H28N3O4.4BF4/c1-2-3-4-5-6-7-8-9-10-11-14-26-19(23)17-15-16(21-20)12-13-18(17)22(24)25;4*2-1(3,4)5/h12-13,15H,2-11,14H2,1H3;;;;/q+1;4*-1