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

Systemtic Name: 10,15,20-tris(2-nitrophenyl)-5-phenyl-21,22-dihydroporphyrin Openeye Name: 10,15,20-tris(2-nitrophenyl)-5-phenyl-21,22-dihydroporphyrin CAS Name: 10,15,20-tris(2-nitrophenyl)-5-phenyl-21,22-dihydroporphyrin IUPAC Name: 10,15,20-tris(2-nitrophenyl)-5-phenyl-21,22-dihydroporphyrin Traditional Name: 10,15,20-tris(2-nitrophenyl)-5-phenyl-21,22-dihydroporphine Formula: C44H27N7O6 MolecularWeight: 749.72848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CC=C7[N+](=O)[O-])C=C5)C8=CC=CC=C8[N+](=O)[O-])C=C4)C9=CC=CC=C9[N+](=O)[O-])N3

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CC=C7[N+](=O)[O-])C=C5)C8=CC=CC=C8[N+](=O)[O-])C=C4)C9=CC=CC=C9[N+](=O)[O-])N3

InChI

InChI=1S/C44H27N7O6/c52-49(53)38-15-7-4-12-27(38)42-32-20-18-30(45-32)41(26-10-2-1-3-11-26)31-19-21-33(46-31)43(28-13-5-8-16-39(28)50(54)55)35-23-25-37(48-35)44(36-24-22-34(42)47-36)29-14-6-9-17-40(29)51(56)57/h1-25,45-46H