5,10,15-tris(2-nitrophenyl)-22,24-dihydro-21H-corrin

Systemtic Name: 5,10,15-tris(2-nitrophenyl)-22,24-dihydro-21H-corrin Openeye Name: 5,10,15-tris(2-nitrophenyl)-22,24-dihydro-21H-corrin CAS Name: 5,10,15-tris(2-nitrophenyl)-22,24-dihydro-21H-corrin IUPAC Name: 5,10,15-tris(2-nitrophenyl)-22,24-dihydro-21H-corrin Traditional Name: 5,10,15-tris(2-nitrophenyl)-22,24-dihydro-21H-corrin Formula: C37H23N7O6 MolecularWeight: 661.62182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C3C=CC(=C(C4=CC=C(N4)C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7[N+](=O)[O-])C8=CC=CC=C8[N+](=O)[O-])N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C=CC(=C(C4=CC=C(N4)C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7[N+](=O)[O-])C8=CC=CC=C8[N+](=O)[O-])N3)[N+](=O)[O-]

InChI

InChI=1S/C37H23N7O6/c45-42(46)32-10-4-1-7-21(32)35-26-15-13-24(38-26)25-14-16-27(39-25)36(22-8-2-5-11-33(22)43(47)48)29-18-20-31(41-29)37(30-19-17-28(35)40-30)23-9-3-6-12-34(23)44(49)50/h1-20,38-40H