15-(5-butoxy-2-nitro-phenyl)-5,10,20-tris(4-methylphenyl)-21,22-dihydroporphyrin

Systemtic Name: 15-(5-butoxy-2-nitro-phenyl)-5,10,20-tris(4-methylphenyl)-21,22-dihydroporphyrin Openeye Name: 15-(5-butoxy-2-nitro-phenyl)-5,10,20-tris(p-tolyl)-21,22-dihydroporphyrin CAS Name: 15-(5-butoxy-2-nitrophenyl)-5,10,20-tris(4-methylphenyl)-21,22-dihydroporphyrin IUPAC Name: 15-(5-butoxy-2-nitrophenyl)-5,10,20-tris(4-methylphenyl)-21,22-dihydroporphyrin Traditional Name: 15-(5-butoxy-2-nitro-phenyl)-5,10,20-tris(p-tolyl)-21,22-dihydroporphine Formula: C51H43N5O3 MolecularWeight: 773.91882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=C(C=C1)[N+](=O)[O-])C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C)N4)C9=CC=C(C=C9)C

Isomeric SMILES

CCCCOC1=CC(=C(C=C1)[N+](=O)[O-])C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C)N4)C9=CC=C(C=C9)C

InChI

InChI=1S/C51H43N5O3/c1-5-6-29-59-37-19-28-47(56(57)58)38(30-37)51-45-26-24-43(54-45)49(35-15-9-32(3)10-16-35)41-22-20-39(52-41)48(34-13-7-31(2)8-14-34)40-21-23-42(53-40)50(44-25-27-46(51)55-44)36-17-11-33(4)12-18-36/h7-28,30,52-53H,5-6,29H2,1-4H3