5-butyl-15-deuterio-10,20-diphenyl-porphyrin-22,24-diide; nickel(2+)

Systemtic Name: 5-butyl-15-deuterio-10,20-diphenyl-porphyrin-22,24-diide; nickel(2+) Openeye Name: nickelous 5-butyl-15-deuterio-10,20-diphenyl-porphyrin-22,24-diide CAS Name: 5-butyl-15-deuterio-10,20-diphenylporphyrin-22,24-diide; nickel(2+) IUPAC Name: 5-butyl-15-deuterio-10,20-diphenylporphyrin-22,24-diide; nickel(2+) Traditional Name: nickelous 5-butyl-15-deuterio-10,20-diphenyl-porphine-22,24-diide Formula: C36H28N4Ni MolecularWeight: 576.333882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C=CC(=N2)C(=C3C=CC(=CC4=NC(=C(C5=CC=C1[N-]5)C6=CC=CC=C6)C=C4)[N-]3)C7=CC=CC=C7.[Ni+2]

Isomeric SMILES

[2H]C1=C2C=CC(=C(C3=NC(=C(C4=CC=C([N-]4)C(=C5C=CC1=N5)C6=CC=CC=C6)CCCC)C=C3)C7=CC=CC=C7)[N-]2.[Ni+2]

InChI

InChI=1S/C36H28N4.Ni/c1-2-3-14-28-29-19-21-33(39-29)35(24-10-6-4-7-11-24)31-17-15-26(37-31)23-27-16-18-32(38-27)36(25-12-8-5-9-13-25)34-22-20-30(28)40-34;/h4-13,15-23H,2-3,14H2,1H3;/q-2;+2/i23D;