copper 2-butyl-3-nitro-5,10,15,20-tetraphenyl-2,3-dihydroporphyrin-22,24-diide

Systemtic Name: copper 2-butyl-3-nitro-5,10,15,20-tetraphenyl-2,3-dihydroporphyrin-22,24-diide Openeye Name: copper 2-butyl-3-nitro-5,10,15,20-tetraphenyl-2,3-dihydroporphyrin-22,24-diide CAS Name: copper 2-butyl-3-nitro-5,10,15,20-tetraphenyl-2,3-dihydroporphyrin-22,24-diide IUPAC Name: copper 2-butyl-3-nitro-5,10,15,20-tetraphenyl-2,3-dihydroporphyrin-22,24-diide Traditional Name: cupric 2-butyl-3-nitro-5,10,15,20-tetraphenyl-2,3-dihydroporphine-22,24-diide Formula: C48H37CuN5O2 MolecularWeight: 779.38568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(C2=C(C3=CC=C([N-]3)C(=C4C=CC(=N4)C(=C5C=CC(=C(C1=N2)C6=CC=CC=C6)[N-]5)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)[N+](=O)[O-].[Cu+2]

Isomeric SMILES

CCCCC1C(C2=C(C3=CC=C([N-]3)C(=C4C=CC(=N4)C(=C5C=CC(=C(C1=N2)C6=CC=CC=C6)[N-]5)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)[N+](=O)[O-].[Cu+2]

InChI

InChI=1S/C48H37N5O2.Cu/c1-2-3-24-35-46-44(33-20-12-6-13-21-33)40-29-27-38(50-40)42(31-16-8-4-9-17-31)36-25-26-37(49-36)43(32-18-10-5-11-19-32)39-28-30-41(51-39)45(34-22-14-7-15-23-34)47(52-46)48(35)53(54)55;/h4-23,25-30,35,48H,2-3,24H2,1H3;/q-2;+2