iron(2+); methanoic acid; 2,7,12,18-tetraethyl-3,8,13,17-tetramethyl-porphyrin-22,24-diide

Systemtic Name: iron(2+); methanoic acid; 2,7,12,18-tetraethyl-3,8,13,17-tetramethyl-porphyrin-22,24-diide Openeye Name: ferrous; formic acid; 2,7,12,18-tetraethyl-3,8,13,17-tetramethyl-porphyrin-22,24-diide CAS Name: formic acid; iron(2+); 2,7,12,18-tetraethyl-3,8,13,17-tetramethylporphyrin-22,24-diide IUPAC Name: formic acid; iron(2+); 2,7,12,18-tetraethyl-3,8,13,17-tetramethylporphyrin-22,24-diide Traditional Name: ferrous; formic acid; 2,7,12,18-tetraethyl-3,8,13,17-tetramethyl-porphine-22,24-diide Formula: C34H40FeN4O4 MolecularWeight: 624.5508

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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)CC)C)CC)C)C(=C3C)CC)C.C(=O)O.C(=O)O.[Fe+2]

Isomeric SMILES

CCC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)CC)C)CC)C)C(=C3C)CC)C.C(=O)O.C(=O)O.[Fe+2]

InChI

InChI=1S/C32H36N4.2CH2O2.Fe/c1-9-21-17(5)25-13-26-18(6)23(11-3)31(34-26)16-32-24(12-4)20(8)28(36-32)15-30-22(10-2)19(7)27(35-30)14-29(21)33-25;2*2-1-3;/h13-16H,9-12H2,1-8H3;2*1H,(H,2,3);/q-2;;;+2