zinc 2,7,12,17-tetranitro-3,8,13,18-tetraphenyl-porphyrin-22,24-diide

Systemtic Name: zinc 2,7,12,17-tetranitro-3,8,13,18-tetraphenyl-porphyrin-22,24-diide Openeye Name: zinc 2,7,12,17-tetranitro-3,8,13,18-tetraphenyl-porphyrin-22,24-diide CAS Name: zinc 2,7,12,17-tetranitro-3,8,13,18-tetraphenylporphyrin-22,24-diide IUPAC Name: zinc 2,7,12,17-tetranitro-3,8,13,18-tetraphenylporphyrin-22,24-diide Traditional Name: zinc 2,7,12,17-tetranitro-3,8,13,18-tetraphenyl-porphine-22,24-diide Formula: C44H24N8O8Zn MolecularWeight: 858.11916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C3=CC4=NC(=CC5=C(C(=C([N-]5)C=C6C(=C(C(=N6)C=C2[N-]3)[N+](=O)[O-])C7=CC=CC=C7)[N+](=O)[O-])C8=CC=CC=C8)C(=C4C9=CC=CC=C9)[N+](=O)[O-])[N+](=O)[O-].[Zn+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C3=CC4=NC(=CC5=C(C(=C([N-]5)C=C6C(=C(C(=N6)C=C2[N-]3)[N+](=O)[O-])C7=CC=CC=C7)[N+](=O)[O-])C8=CC=CC=C8)C(=C4C9=CC=CC=C9)[N+](=O)[O-])[N+](=O)[O-].[Zn+2]

InChI

InChI=1S/C44H24N8O8.Zn/c53-49(54)41-33-22-30-38(26-15-7-2-8-16-26)43(51(57)58)35(47-30)24-32-40(28-19-11-4-12-20-28)44(52(59)60)36(48-32)23-31-39(27-17-9-3-10-18-27)42(50(55)56)34(46-31)21-29(45-33)37(41)25-13-5-1-6-14-25;/h1-24H;/q-2;+2