nickel(2+); 2,3,7,8,12,13,17,18-octaethyl-5-hexyl-10-phenyl-porphyrin-21,22-diide

Systemtic Name: nickel(2+); 2,3,7,8,12,13,17,18-octaethyl-5-hexyl-10-phenyl-porphyrin-21,22-diide Openeye Name: nickelous 2,3,7,8,12,13,17,18-octaethyl-5-hexyl-10-phenyl-porphyrin-21,22-diide CAS Name: nickel(2+); 2,3,7,8,12,13,17,18-octaethyl-5-hexyl-10-phenylporphyrin-21,22-diide IUPAC Name: nickel(2+); 2,3,7,8,12,13,17,18-octaethyl-5-hexyl-10-phenylporphyrin-21,22-diide Traditional Name: nickelous 2,3,7,8,12,13,17,18-octaethyl-5-hexyl-10-phenyl-porphine-21,22-diide Formula: C48H60N4Ni MolecularWeight: 751.7102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C2C(=C(C(=CC3=NC(=CC4=NC(=C(C5=C(C(=C1[N-]5)CC)CC)C6=CC=CC=C6)C(=C4CC)CC)C(=C3CC)CC)[N-]2)CC)CC.[Ni+2]

Isomeric SMILES

CCCCCCC1=C2C(=C(C(=CC3=NC(=CC4=NC(=C(C5=C(C(=C1[N-]5)CC)CC)C6=CC=CC=C6)C(=C4CC)CC)C(=C3CC)CC)[N-]2)CC)CC.[Ni+2]

InChI

InChI=1S/C48H60N4.Ni/c1-10-19-20-24-27-39-45-35(15-6)33(13-4)42(50-45)28-40-31(11-2)32(12-3)41(49-40)29-43-34(14-5)36(16-7)47(51-43)44(30-25-22-21-23-26-30)48-38(18-9)37(17-8)46(39)52-48;/h21-23,25-26,28-29H,10-20,24,27H2,1-9H3;/q-2;+2