cobalt(2+); pyridazino[1,2-a]cinnoline; tris(fluoranyl)methanesulfonate

Systemtic Name: cobalt(2+); pyridazino[1,2-a]cinnoline; tris(fluoranyl)methanesulfonate Openeye Name: cobaltous; pyridazino[1,2-a]cinnoline; trifluoromethanesulfonate CAS Name: cobalt(2+); pyridazino[1,2-a]cinnoline; trifluoromethanesulfonate IUPAC Name: cobalt(2+); pyridazino[1,2-a]cinnoline; trifluoromethanesulfonate Traditional Name: cobaltous pyridazino[1,2-a]cinnoline ditriflate Formula: C38H30CoF6N6O6S2 MolecularWeight: 903.735019

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN3N2C=CC=C3.C1=CC=C2C(=C1)C=CN3N2C=CC=C3.C1=CC=C2C(=C1)C=CN3N2C=CC=C3.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Co+2]

Isomeric SMILES

C1=CC=C2C(=C1)C=CN3N2C=CC=C3.C1=CC=C2C(=C1)C=CN3N2C=CC=C3.C1=CC=C2C(=C1)C=CN3N2C=CC=C3.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Co+2]

InChI

InChI=1S/3C12H10N2.2CHF3O3S.Co/c3*1-2-6-12-11(5-1)7-10-13-8-3-4-9-14(12)13;2*2-1(3,4)8(5,6)7;/h3*1-10H;2*(H,5,6,7);/q;;;;;+2/p-2