2-deuterio-3-nitro-5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin

Systemtic Name: 2-deuterio-3-nitro-5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin Openeye Name: 2-deuterio-3-nitro-5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin CAS Name: 2-deuterio-3-nitro-5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin IUPAC Name: 2-deuterio-3-nitro-5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin Traditional Name: 2-deuterio-3-nitro-5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphine Formula: C44H31N5O2 MolecularWeight: 662.755402

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=C(C1=N2)C6=CC=CC=C6)N5)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)[N+](=O)[O-]

Isomeric SMILES

[2H]C1C(C2=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=C(C1=N2)C6=CC=CC=C6)N5)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)[N+](=O)[O-]

InChI

InChI=1S/C44H31N5O2/c50-49(51)39-27-38-42(30-17-9-3-10-18-30)36-24-23-34(46-36)40(28-13-5-1-6-14-28)32-21-22-33(45-32)41(29-15-7-2-8-16-29)35-25-26-37(47-35)43(44(39)48-38)31-19-11-4-12-20-31/h1-26,39,46-47H,27H2/i27D