nickel(2+); 5,10,15,20-tetra(pentan-3-yl)porphyrin-21,23-diide-2-carbaldehyde

Systemtic Name: nickel(2+); 5,10,15,20-tetra(pentan-3-yl)porphyrin-21,23-diide-2-carbaldehyde Openeye Name: nickelous 5,10,15,20-tetrakis(1-ethylpropyl)porphyrin-21,23-diide-2-carbaldehyde CAS Name: nickel(2+); 5,10,15,20-tetra(pentan-3-yl)-2-porphyrin-21,23-diidecarboxaldehyde IUPAC Name: nickel(2+); 5,10,15,20-tetra(pentan-3-yl)porphyrin-21,23-diide-2-carbaldehyde Traditional Name: nickelous 5,10,15,20-tetrakis(1-ethylpropyl)porphine-21,23-diide-2-carbaldehyde Formula: C41H52N4NiO MolecularWeight: 675.57118

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=C2C=CC(=C(C3=NC(=C(C4=C(C=C([N-]4)C(=C5C=CC1=N5)C(CC)CC)C=O)C(CC)CC)C=C3)C(CC)CC)[N-]2.[Ni+2]

Isomeric SMILES

CCC(CC)C1=C2C=CC(=C(C3=NC(=C(C4=C(C=C([N-]4)C(=C5C=CC1=N5)C(CC)CC)C=O)C(CC)CC)C=C3)C(CC)CC)[N-]2.[Ni+2]

InChI

InChI=1S/C41H53N4O.Ni/c1-9-25(10-2)37-30-17-18-31(42-30)38(26(11-3)12-4)33-21-22-35(44-33)40(28(15-7)16-8)41-29(24-46)23-36(45-41)39(27(13-5)14-6)34-20-19-32(37)43-34;/h17-28H,9-16H2,1-8H3,(H-,42,43,44,45,46);/q-1;+2/p-1