5,10,15,20-tetrakis(4-nitrophenyl)-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis(4-nitrophenyl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(4-nitrophenyl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(4-nitrophenyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(4-nitrophenyl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(4-nitrophenyl)-21,22-dihydroporphine Formula: C44H26N8O8 MolecularWeight: 794.72604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)[N+](=O)[O-])C8=CC=C(C=C8)[N+](=O)[O-])C9=CC=C(C=C9)[N+](=O)[O-])N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)[N+](=O)[O-])C8=CC=C(C=C8)[N+](=O)[O-])C9=CC=C(C=C9)[N+](=O)[O-])N3)[N+](=O)[O-]

InChI

InChI=1S/C44H26N8O8/c53-49(54)29-9-1-25(2-10-29)41-33-17-19-35(45-33)42(26-3-11-30(12-4-26)50(55)56)37-21-23-39(47-37)44(28-7-15-32(16-8-28)52(59)60)40-24-22-38(48-40)43(36-20-18-34(41)46-36)27-5-13-31(14-6-27)51(57)58/h1-24,45-46H