nickel; 2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-porphyrin-22,24-diide-5-carbaldehyde

Systemtic Name: nickel; 2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-porphyrin-22,24-diide-5-carbaldehyde Openeye Name: nickel; 2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-porphyrin-22,24-diide-5-carbaldehyde CAS Name: nickel; 2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5-porphyrin-22,24-diidecarboxaldehyde IUPAC Name: nickel; 2,7,12,17-tetraethyl-3,8,13,18-tetramethylporphyrin-22,24-diide-5-carbaldehyde Traditional Name: nickel; 2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-porphine-22,24-diide-5-carbaldehyde Formula: C33H36N4NiO-2 MolecularWeight: 563.35854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC3=NC(=C(C4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)CC)C)CC)C=O)C(=C3CC)C)C.[Ni]

Isomeric SMILES

CCC1=C(C2=CC3=NC(=C(C4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)CC)C)CC)C=O)C(=C3CC)C)C.[Ni]

InChI

InChI=1S/C33H37N4O.Ni/c1-9-21-18(6)27-14-31-23(11-3)20(8)32(37-31)25(16-38)33-24(12-4)19(7)28(36-33)15-30-22(10-2)17(5)26(34-30)13-29(21)35-27;/h13-16H,9-12H2,1-8H3,(H-,34,35,36,37,38);/q-1;/p-1