5,10,15,20-tetraphenylporphyrin-22,23-diide; tin(4+); tris(fluoranyl)methanesulfonate

Systemtic Name: 5,10,15,20-tetraphenylporphyrin-22,23-diide; tin(4+); tris(fluoranyl)methanesulfonate Openeye Name: stannic; 5,10,15,20-tetraphenylporphyrin-22,23-diide; trifluoromethanesulfonate CAS Name: 5,10,15,20-tetraphenylporphyrin-22,23-diide; tin(4+); trifluoromethanesulfonate IUPAC Name: 5,10,15,20-tetraphenylporphyrin-22,23-diide; tin(4+); trifluoromethanesulfonate Traditional Name: stannic 5,10,15,20-tetraphenylporphine-22,23-diide ditriflate Formula: C46H28F6N4O6S2Sn MolecularWeight: 1029.568139

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)[N-]3.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Sn+4]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)[N-]3.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Sn+4]

InChI

InChI=1S/C44H28N4.2CHF3O3S.Sn/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;2*2-1(3,4)8(5,6)7;/h1-28H;2*(H,5,6,7);/q-2;;;+4/p-2