copper 17,18-dinitro-10,12,13,15-tetraphenyl-21,22-dihydroporphyrin

Systemtic Name: copper 17,18-dinitro-10,12,13,15-tetraphenyl-21,22-dihydroporphyrin Openeye Name: copper 17,18-dinitro-10,12,13,15-tetraphenyl-21,22-dihydroporphyrin CAS Name: copper 17,18-dinitro-10,12,13,15-tetraphenyl-21,22-dihydroporphyrin IUPAC Name: copper 17,18-dinitro-10,12,13,15-tetraphenyl-21,22-dihydroporphyrin Traditional Name: cupric 17,18-dinitro-10,12,13,15-tetraphenyl-21,22-dihydroporphine Formula: C44H28CuN6O4+2 MolecularWeight: 768.27692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C(=C(C(=N3)C(=C4C(=C(C(=N4)C=C5C=CC(=CC6=CC=C2N6)N5)[N+](=O)[O-])[N+](=O)[O-])C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9.[Cu+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C(=C(C(=N3)C(=C4C(=C(C(=N4)C=C5C=CC(=CC6=CC=C2N6)N5)[N+](=O)[O-])[N+](=O)[O-])C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9.[Cu+2]

InChI

InChI=1S/C44H28N6O4.Cu/c51-49(52)43-35-26-33-22-21-31(45-33)25-32-23-24-34(46-32)36(27-13-5-1-6-14-27)40-37(28-15-7-2-8-16-28)38(29-17-9-3-10-18-29)41(48-40)39(30-19-11-4-12-20-30)42(47-35)44(43)50(53)54;/h1-26,45-46H;/q;+2