1-[bis(2,4-dinitrophenyl)methyl]pyridin-1-ium tetrafluoroborate

Systemtic Name: 1-[bis(2,4-dinitrophenyl)methyl]pyridin-1-ium tetrafluoroborate Openeye Name: 1-[bis(2,4-dinitrophenyl)methyl]pyridin-1-ium tetrafluoroborate CAS Name: 1-[bis(2,4-dinitrophenyl)methyl]pyridin-1-ium tetrafluoroborate IUPAC Name: 1-[bis(2,4-dinitrophenyl)methyl]pyridin-1-ium tetrafluoroborate Traditional Name: 1-[bis(2,4-dinitrophenyl)methyl]pyridin-1-ium tetrafluoroborate Formula: C18H12BF4N5O8 MolecularWeight: 513.121193

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C1=CC=[N+](C=C1)C(C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

[B-](F)(F)(F)F.C1=CC=[N+](C=C1)C(C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H12N5O8.BF4/c24-20(25)12-4-6-14(16(10-12)22(28)29)18(19-8-2-1-3-9-19)15-7-5-13(21(26)27)11-17(15)23(30)31;2-1(3,4)5/h1-11,18H;/q+1;-1