pyrimidin-1-ium tetraborate

Systemtic Name: pyrimidin-1-ium tetraborate Openeye Name: pyrimidin-1-ium tetraborate CAS Name: pyrimidin-1-ium tetraborate IUPAC Name: pyrimidin-1-ium tetraborate Traditional Name: pyrimidin-1-ium tetraborate Formula: C48H60B4N24O12 MolecularWeight: 1208.3876

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Descriptors Computed from Structure

Canonical SMILES:

B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].C1=CN=C[NH+]=C1.C1=CN=C[NH+]=C1.C1=CN=C[NH+]=C1.C1=CN=C[NH+]=C1.C1=CN=C[NH+]=C1.C1=CN=C[NH+]=C1.C1=CN=C[NH+]=C1.C1=CN=C[NH+]=C1.C1=CN=C[NH+]=C1.C1=CN=C[NH+]=C1.C1=CN=C[NH+]=C1.C1=CN=C[NH+]=C1

Isomeric SMILES

B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].C1=CN=C[NH+]=C1.C1=CN=C[NH+]=C1.C1=CN=C[NH+]=C1.C1=CN=C[NH+]=C1.C1=CN=C[NH+]=C1.C1=CN=C[NH+]=C1.C1=CN=C[NH+]=C1.C1=CN=C[NH+]=C1.C1=CN=C[NH+]=C1.C1=CN=C[NH+]=C1.C1=CN=C[NH+]=C1.C1=CN=C[NH+]=C1

InChI

InChI=1S/12C4H4N2.4BO3/c12*1-2-5-4-6-3-1;4*2-1(3)4/h12*1-4H;;;;/q;;;;;;;;;;;;4*-3/p+12