2,17,18,20-tetrakis(4-nitrophenyl)-21,22-dihydroporphyrin

Systemtic Name: 2,17,18,20-tetrakis(4-nitrophenyl)-21,22-dihydroporphyrin Openeye Name: 2,17,18,20-tetrakis(4-nitrophenyl)-21,22-dihydroporphyrin CAS Name: 2,17,18,20-tetrakis(4-nitrophenyl)-21,22-dihydroporphyrin IUPAC Name: 2,17,18,20-tetrakis(4-nitrophenyl)-21,22-dihydroporphyrin Traditional Name: 2,17,18,20-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(=C4C(=C(C(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)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-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=C3C(=C4C(=C(C(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)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-])[N+](=O)[O-]

InChI

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