nickel(2+); (10Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-5-hexyl-15-(4-iodanylbutyl)-5,15-dihydroporphyrin-21,22-diide

Systemtic Name: nickel(2+); (10Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-5-hexyl-15-(4-iodanylbutyl)-5,15-dihydroporphyrin-21,22-diide Openeye Name: nickelous (10Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-5-hexyl-15-(4-iodobutyl)-5,15-dihydroporphyrin-21,22-diide CAS Name: nickel(2+); (10Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-5-hexyl-15-(4-iodobutyl)-5,15-dihydroporphyrin-21,22-diide IUPAC Name: nickel(2+); (10Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-5-hexyl-15-(4-iodobutyl)-5,15-dihydroporphyrin-21,22-diide Traditional Name: nickelous (10Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-5-hexyl-15-(4-iodobutyl)-5,15-dihydroporphine-21,22-diide Formula: C46H65IN4Ni MolecularWeight: 859.63297

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C2=C(C(=C([N-]2)C=C3C(=C(C(=N3)C(C4=NC(=CC5=C(C(=C1[N-]5)CC)CC)C(=C4CC)CC)CCCCI)CC)CC)CC)CC.[Ni+2]

Isomeric SMILES

CCCCCCC1C2=C(C(=C([N-]2)/C=C/3\N=C(C(=C3CC)CC)C(C4=N/C(=C\C5=C(C(=C1[N-]5)CC)CC)/C(=C4CC)CC)CCCCI)CC)CC.[Ni+2]

InChI

InChI=1S/C46H65IN4.Ni/c1-10-19-20-21-24-37-43-33(15-6)29(11-2)39(48-43)27-41-31(13-4)35(17-8)45(50-41)38(25-22-23-26-47)46-36(18-9)32(14-5)42(51-46)28-40-30(12-3)34(16-7)44(37)49-40;/h27-28,37-38H,10-26H2,1-9H3;/q-2;+2/b41-27-,42-28-;