5,10,15-tris(4-nitrophenyl)-22,24-dihydro-21H-corrin

Systemtic Name: 5,10,15-tris(4-nitrophenyl)-22,24-dihydro-21H-corrin Openeye Name: 5,10,15-tris(4-nitrophenyl)-22,24-dihydro-21H-corrin CAS Name: 5,10,15-tris(4-nitrophenyl)-22,24-dihydro-21H-corrin IUPAC Name: 5,10,15-tris(4-nitrophenyl)-22,24-dihydro-21H-corrin Traditional Name: 5,10,15-tris(4-nitrophenyl)-22,24-dihydro-21H-corrin Formula: C37H23N7O6 MolecularWeight: 661.62182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C3C=CC(=C(C4=CC=C(N4)C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)[N+](=O)[O-])C8=CC=C(C=C8)[N+](=O)[O-])N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=C3C=CC(=C(C4=CC=C(N4)C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)[N+](=O)[O-])C8=CC=C(C=C8)[N+](=O)[O-])N3)[N+](=O)[O-]

InChI

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