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

Systemtic Name: nickel; 2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-porphyrin-22,24-diide Openeye Name: nickel; 2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-porphyrin-22,24-diide CAS Name: nickel; 2,7,12,17-tetraethyl-3,8,13,18-tetramethylporphyrin-22,24-diide IUPAC Name: nickel; 2,7,12,17-tetraethyl-3,8,13,18-tetramethylporphyrin-22,24-diide Traditional Name: nickel; 2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-porphine-22,24-diide Formula: C32H36N4Ni-2 MolecularWeight: 535.34844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)CC)C)CC)C(=C3CC)C)C.[Ni]

Isomeric SMILES

CCC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)CC)C)CC)C(=C3CC)C)C.[Ni]

InChI

InChI=1S/C32H36N4.Ni/c1-9-21-17(5)25-14-30-23(11-3)19(7)27(35-30)16-32-24(12-4)20(8)28(36-32)15-31-22(10-2)18(6)26(34-31)13-29(21)33-25;/h13-16H,9-12H2,1-8H3;/q-2;