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

Systemtic Name: (10Z,19Z)-5,15-dibutyl-2,3,7,8,12,13,17,18-octaethyl-10,20-diphenyl-5,15-dihydroporphyrin-21,22-diide; nickel(2+) Openeye Name: nickelous (10Z,19Z)-5,15-dibutyl-2,3,7,8,12,13,17,18-octaethyl-10,20-diphenyl-5,15-dihydroporphyrin-21,22-diide CAS Name: (10Z,19Z)-5,15-dibutyl-2,3,7,8,12,13,17,18-octaethyl-10,20-diphenyl-5,15-dihydroporphyrin-21,22-diide; nickel(2+) IUPAC Name: (10Z,19Z)-5,15-dibutyl-2,3,7,8,12,13,17,18-octaethyl-10,20-diphenyl-5,15-dihydroporphyrin-21,22-diide; nickel(2+) Traditional Name: nickelous (10Z,19Z)-5,15-dibutyl-2,3,7,8,12,13,17,18-octaethyl-10,20-diphenyl-5,15-dihydroporphine-21,22-diide Formula: C56H70N4Ni MolecularWeight: 857.8752

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

InChI

InChI=1S/C56H70N4.Ni/c1-11-21-33-45-49-37(13-3)41(17-7)53(57-49)47(35-29-25-23-26-30-35)55-43(19-9)39(15-5)51(59-55)46(34-22-12-2)52-40(16-6)44(20-10)56(60-52)48(36-31-27-24-28-32-36)54-42(18-8)38(14-4)50(45)58-54;/h23-32,45-46H,11-22,33-34H2,1-10H3;/q-2;+2/b53-47-,54-48-;