copper(1+); phthalazine; tris(fluoranyl)methanesulfonate

Systemtic Name: copper(1+); phthalazine; tris(fluoranyl)methanesulfonate Openeye Name: dicuprous; phthalazine; trifluoromethanesulfonate CAS Name: copper(1+); phthalazine; trifluoromethanesulfonate IUPAC Name: copper(1+); phthalazine; trifluoromethanesulfonate Traditional Name: dicuprous phthalazine ditriflate Formula: C26H18Cu2F6N6O6S2 MolecularWeight: 815.670139

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NN=CC2=C1.C1=CC=C2C=NN=CC2=C1.C1=CC=C2C=NN=CC2=C1.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Cu+].[Cu+]

Isomeric SMILES

C1=CC=C2C=NN=CC2=C1.C1=CC=C2C=NN=CC2=C1.C1=CC=C2C=NN=CC2=C1.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Cu+].[Cu+]

InChI

InChI=1S/3C8H6N2.2CHF3O3S.2Cu/c3*1-2-4-8-6-10-9-5-7(8)3-1;2*2-1(3,4)8(5,6)7;;/h3*1-6H;2*(H,5,6,7);;/q;;;;;2*+1/p-2