4-pyridin-1-ium-4-ylpyridin-1-ium diborate

Systemtic Name: 4-pyridin-1-ium-4-ylpyridin-1-ium diborate Openeye Name: 4-pyridin-1-ium-4-ylpyridin-1-ium diborate CAS Name: 4-(4-pyridin-1-iumyl)pyridin-1-ium diborate IUPAC Name: 4-pyridin-1-ium-4-ylpyridin-1-ium diborate Traditional Name: 4-pyridin-1-ium-4-ylpyridin-1-ium diborate Formula: C30H30B2N6O6 MolecularWeight: 592.2178

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Descriptors Computed from Structure

Canonical SMILES:

B([O-])([O-])[O-].B([O-])([O-])[O-].C1=C[NH+]=CC=C1C2=CC=[NH+]C=C2.C1=C[NH+]=CC=C1C2=CC=[NH+]C=C2.C1=C[NH+]=CC=C1C2=CC=[NH+]C=C2

Isomeric SMILES

B([O-])([O-])[O-].B([O-])([O-])[O-].C1=C[NH+]=CC=C1C2=CC=[NH+]C=C2.C1=C[NH+]=CC=C1C2=CC=[NH+]C=C2.C1=C[NH+]=CC=C1C2=CC=[NH+]C=C2

InChI

InChI=1S/3C10H8N2.2BO3/c3*1-5-11-6-2-9(1)10-3-7-12-8-4-10;2*2-1(3)4/h3*1-8H;;/q;;;2*-3/p+6