10,20-bis[4-(4-nitrophenoxy)phenyl]-21,22-dihydroporphyrin

Systemtic Name: 10,20-bis[4-(4-nitrophenoxy)phenyl]-21,22-dihydroporphyrin Openeye Name: 10,20-bis[4-(4-nitrophenoxy)phenyl]-21,22-dihydroporphyrin CAS Name: 10,20-bis[4-(4-nitrophenoxy)phenyl]-21,22-dihydroporphyrin IUPAC Name: 10,20-bis[4-(4-nitrophenoxy)phenyl]-21,22-dihydroporphyrin Traditional Name: 10,20-bis[4-(4-nitrophenoxy)phenyl]-21,22-dihydroporphine Formula: C44H28N6O6 MolecularWeight: 736.72972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC(=N5)C=C6C=CC2=N6)C7=CC=C(C=C7)OC8=CC=C(C=C8)[N+](=O)[O-])N3)OC9=CC=C(C=C9)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC(=N5)C=C6C=CC2=N6)C7=CC=C(C=C7)OC8=CC=C(C=C8)[N+](=O)[O-])N3)OC9=CC=C(C=C9)[N+](=O)[O-]

InChI

InChI=1S/C44H28N6O6/c51-49(52)33-9-17-37(18-10-33)55-35-13-1-27(2-14-35)43-39-21-5-29(45-39)25-31-7-23-41(47-31)44(42-24-8-32(48-42)26-30-6-22-40(43)46-30)28-3-15-36(16-4-28)56-38-19-11-34(12-20-38)50(53)54/h1-26,45,47H