nickel(2+); (10Z,19Z)-5,10,20-tributyl-2,3,7,8,12,13,17,18-octaethyl-15-phenyl-5,15-dihydroporphyrin-21,22-diide

Systemtic Name: nickel(2+); (10Z,19Z)-5,10,20-tributyl-2,3,7,8,12,13,17,18-octaethyl-15-phenyl-5,15-dihydroporphyrin-21,22-diide Openeye Name: nickelous (10Z,19Z)-5,10,20-tributyl-2,3,7,8,12,13,17,18-octaethyl-15-phenyl-5,15-dihydroporphyrin-21,22-diide CAS Name: nickel(2+); (10Z,19Z)-5,10,20-tributyl-2,3,7,8,12,13,17,18-octaethyl-15-phenyl-5,15-dihydroporphyrin-21,22-diide IUPAC Name: nickel(2+); (10Z,19Z)-5,10,20-tributyl-2,3,7,8,12,13,17,18-octaethyl-15-phenyl-5,15-dihydroporphyrin-21,22-diide Traditional Name: nickelous (10Z,19Z)-5,10,20-tributyl-2,3,7,8,12,13,17,18-octaethyl-15-phenyl-5,15-dihydroporphine-21,22-diide Formula: C54H74N4Ni MolecularWeight: 837.88556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C2=C(C(=C([N-]2)C(=C3C(=C(C(=N3)C(C4=NC(=C(C5=C(C(=C1[N-]5)CC)CC)CCCC)C(=C4CC)CC)C6=CC=CC=C6)CC)CC)CCCC)CC)CC.[Ni+2]

Isomeric SMILES

CCCCC1C2=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)/CCCC)/C(=C4CC)CC)C6=CC=CC=C6)/CCCC)CC)CC.[Ni+2]

InChI

InChI=1S/C54H74N4.Ni/c1-12-23-31-43-47-35(15-4)37(17-6)49(55-47)44(32-24-13-2)51-39(19-8)41(21-10)53(57-51)46(34-29-27-26-28-30-34)54-42(22-11)40(20-9)52(58-54)45(33-25-14-3)50-38(18-7)36(16-5)48(43)56-50;/h26-30,43,46H,12-25,31-33H2,1-11H3;/q-2;+2/b51-44-,52-45-;