3-(15-bromanyl-10,20-diphenyl-porphyrin-21,22-diid-5-yl)pentane-2,4-dione; nickel(2+)

Systemtic Name: 3-(15-bromanyl-10,20-diphenyl-porphyrin-21,22-diid-5-yl)pentane-2,4-dione; nickel(2+) Openeye Name: nickelous 3-(15-bromo-10,20-diphenyl-porphyrin-21,22-diid-5-yl)pentane-2,4-dione CAS Name: 3-(15-bromo-10,20-diphenyl-5-porphyrin-21,22-diidyl)pentane-2,4-dione; nickel(2+) IUPAC Name: 3-(15-bromo-10,20-diphenylporphyrin-21,22-diid-5-yl)pentane-2,4-dione; nickel(2+) Traditional Name: nickelous 3-(15-bromo-10,20-diphenyl-porphine-21,22-diid-5-yl)pentane-2,4-dione Formula: C37H25BrN4NiO2 MolecularWeight: 696.2174

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1[N-]5)C6=CC=CC=C6)C=C4)Br)C=C3)C7=CC=CC=C7)[N-]2)C(=O)C.[Ni+2]

Isomeric SMILES

CC(=O)C(C1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1[N-]5)C6=CC=CC=C6)C=C4)Br)C=C3)C7=CC=CC=C7)[N-]2)C(=O)C.[Ni+2]

InChI

InChI=1S/C37H25BrN4O2.Ni/c1-21(43)33(22(2)44)36-29-15-13-25(39-29)34(23-9-5-3-6-10-23)27-17-19-31(41-27)37(38)32-20-18-28(42-32)35(24-11-7-4-8-12-24)26-14-16-30(36)40-26;/h3-20,33H,1-2H3;/q-2;+2