5-bromanyl-15-(4-nitrophenoxy)-10,20-diphenyl-porphyrin-21,22-diide; nickel(2+)

Systemtic Name: 5-bromanyl-15-(4-nitrophenoxy)-10,20-diphenyl-porphyrin-21,22-diide; nickel(2+) Openeye Name: nickelous 5-bromo-15-(4-nitrophenoxy)-10,20-diphenyl-porphyrin-21,22-diide CAS Name: 5-bromo-15-(4-nitrophenoxy)-10,20-diphenylporphyrin-21,22-diide; nickel(2+) IUPAC Name: 5-bromo-15-(4-nitrophenoxy)-10,20-diphenylporphyrin-21,22-diide; nickel(2+) Traditional Name: nickelous 5-bromo-15-(4-nitrophenoxy)-10,20-diphenyl-porphine-21,22-diide Formula: C38H22BrN5NiO3 MolecularWeight: 735.21038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)OC7=CC=C(C=C7)[N+](=O)[O-])C8=CC=CC=C8)Br)[N-]3.[Ni+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)OC7=CC=C(C=C7)[N+](=O)[O-])C8=CC=CC=C8)Br)[N-]3.[Ni+2]

InChI

InChI=1S/C38H22BrN5O3.Ni/c39-37-31-19-15-27(40-31)35(23-7-3-1-4-8-23)29-17-21-33(42-29)38(47-26-13-11-25(12-14-26)44(45)46)34-22-18-30(43-34)36(24-9-5-2-6-10-24)28-16-20-32(37)41-28;/h1-22H;/q-2;+2