5,10,15,20-tetrakis(2-nitrophenyl)-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis(2-nitrophenyl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(2-nitrophenyl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(2-nitrophenyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(2-nitrophenyl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(2-nitrophenyl)-21,22-dihydroporphine Formula: C44H26N8O8 MolecularWeight: 794.72604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7[N+](=O)[O-])C8=CC=CC=C8[N+](=O)[O-])C9=CC=CC=C9[N+](=O)[O-])N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7[N+](=O)[O-])C8=CC=CC=C8[N+](=O)[O-])C9=CC=CC=C9[N+](=O)[O-])N3)[N+](=O)[O-]

InChI

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