(5R,10Z,15S,19Z)-5-butyl-2,3,7,8,12,13,17,18-octaethyl-10,15-diphenyl-5,15-dihydroporphyrin-21,22-diide; nickel(2+)

Systemtic Name: (5R,10Z,15S,19Z)-5-butyl-2,3,7,8,12,13,17,18-octaethyl-10,15-diphenyl-5,15-dihydroporphyrin-21,22-diide; nickel(2+) Openeye Name: nickelous (5R,10Z,15S,19Z)-5-butyl-2,3,7,8,12,13,17,18-octaethyl-10,15-diphenyl-5,15-dihydroporphyrin-21,22-diide CAS Name: (5R,10Z,15S,19Z)-5-butyl-2,3,7,8,12,13,17,18-octaethyl-10,15-diphenyl-5,15-dihydroporphyrin-21,22-diide; nickel(2+) IUPAC Name: (5R,10Z,15S,19Z)-5-butyl-2,3,7,8,12,13,17,18-octaethyl-10,15-diphenyl-5,15-dihydroporphyrin-21,22-diide; nickel(2+) Traditional Name: nickelous (5R,10Z,15S,19Z)-5-butyl-2,3,7,8,12,13,17,18-octaethyl-10,15-diphenyl-5,15-dihydroporphine-21,22-diide Formula: C52H62N4Ni MolecularWeight: 801.76888

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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)C6=CC=CC=C6)C(=C4CC)CC)C7=CC=CC=C7)CC)CC)CC)CC.[Ni+2]

Isomeric SMILES

CCCC[C@@H]1C2=C(C(=C([N-]2)/C=C\3/C(=C(C(=N3)[C@@H](C4=N/C(=C(\C5=C(C(=C1[N-]5)CC)CC)/C6=CC=CC=C6)/C(=C4CC)CC)C7=CC=CC=C7)CC)CC)CC)CC.[Ni+2]

InChI

InChI=1S/C52H62N4.Ni/c1-10-19-30-42-47-36(13-4)34(11-2)43(53-47)31-44-35(12-3)37(14-5)49(54-44)45(32-26-22-20-23-27-32)51-40(17-8)41(18-9)52(56-51)46(33-28-24-21-25-29-33)50-39(16-7)38(15-6)48(42)55-50;/h20-29,31,42,45H,10-19,30H2,1-9H3;/q-2;+2/b44-31-,52-46-;/t42-,45+;/m1./s1