2,7-bis(ethenyl)-13,17-diethyl-3,8,12,18-tetramethyl-porphyrin-21,23-diide; iron(2+); methanoic acid

Systemtic Name: 2,7-bis(ethenyl)-13,17-diethyl-3,8,12,18-tetramethyl-porphyrin-21,23-diide; iron(2+); methanoic acid Openeye Name: ferrous; 2,18-diethyl-3,7,12,17-tetramethyl-8,13-divinyl-porphyrin-21,23-diide; formic acid CAS Name: 2,7-bis(ethenyl)-13,17-diethyl-3,8,12,18-tetramethylporphyrin-21,23-diide; formic acid; iron(2+) IUPAC Name: 2,7-bis(ethenyl)-13,17-diethyl-3,8,12,18-tetramethylporphyrin-21,23-diide; formic acid; iron(2+) Traditional Name: ferrous; 2,18-diethyl-3,7,12,17-tetramethyl-8,13-divinyl-porphine-21,23-diide; formic acid Formula: C34H36FeN4O4 MolecularWeight: 620.51904

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=C3C(=C(C(=N3)C=C4C(=C(C(=CC5=NC(=CC(=C1C)[N-]2)C(=C5C=C)C)[N-]4)C)C=C)C)CC.C(=O)O.C(=O)O.[Fe+2]

Isomeric SMILES

CCC1=C2C=C3C(=C(C(=N3)C=C4C(=C(C(=CC5=NC(=CC(=C1C)[N-]2)C(=C5C=C)C)[N-]4)C)C=C)C)CC.C(=O)O.C(=O)O.[Fe+2]

InChI

InChI=1S/C32H32N4.2CH2O2.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;/h9-10,13-16H,1-2,11-12H2,3-8H3;2*1H,(H,2,3);/q-2;;;+2