4-[(15-bromanyl-10,20-diphenyl-21H-porphyrin-23-id-5-yl)oxy]phenolate; nickel(2+)

Systemtic Name: 4-[(15-bromanyl-10,20-diphenyl-21H-porphyrin-23-id-5-yl)oxy]phenolate; nickel(2+) Openeye Name: nickelous 4-[(15-bromo-10,20-diphenyl-21H-porphyrin-23-id-5-yl)oxy]phenolate CAS Name: 4-[(15-bromo-10,20-diphenyl-21H-porphyrin-23-id-5-yl)oxy]phenolate; nickel(2+) IUPAC Name: 4-[(15-bromo-10,20-diphenyl-21H-porphyrin-23-id-5-yl)oxy]phenolate; nickel(2+) Traditional Name: nickelous 4-[(15-bromo-10,20-diphenyl-21H-porphin-23-id-5-yl)oxy]phenolate Formula: C38H23BrN4NiO2 MolecularWeight: 706.21222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)OC7=CC=C(C=C7)[O-])C8=CC=CC=C8)C=C4)Br)[N-]3.[Ni+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)OC7=CC=C(C=C7)[O-])C8=CC=CC=C8)C=C4)Br)[N-]3.[Ni+2]

InChI

InChI=1S/C38H24BrN4O2.Ni/c39-37-31-19-15-27(40-31)35(23-7-3-1-4-8-23)29-17-21-33(42-29)38(45-26-13-11-25(44)12-14-26)34-22-18-30(43-34)36(24-9-5-2-6-10-24)28-16-20-32(37)41-28;/h1-22H,(H2-,40,41,42,43,44);/q-1;+2/p-1