iron(3+); 2,3,12,13,15,17,18,20-octaethyl-21,22-dihydroporphyrin

Systemtic Name: iron(3+); 2,3,12,13,15,17,18,20-octaethyl-21,22-dihydroporphyrin Openeye Name: ferric 2,3,12,13,15,17,18,20-octaethyl-21,22-dihydroporphyrin CAS Name: iron(3+); 2,3,12,13,15,17,18,20-octaethyl-21,22-dihydroporphyrin IUPAC Name: iron(3+); 2,3,12,13,15,17,18,20-octaethyl-21,22-dihydroporphyrin Traditional Name: ferric 2,3,12,13,15,17,18,20-octaethyl-21,22-dihydroporphine Formula: C36H46FeN4+3 MolecularWeight: 590.62224

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=C3C=CC(=CC4=NC(=C(C5=NC(=C(C(=C1CC)N2)CC)C(=C5CC)CC)CC)C(=C4CC)CC)N3.[Fe+3]

Isomeric SMILES

CCC1=C2C=C3C=CC(=CC4=NC(=C(C5=NC(=C(C(=C1CC)N2)CC)C(=C5CC)CC)CC)C(=C4CC)CC)N3.[Fe+3]

InChI

InChI=1S/C36H46N4.Fe/c1-9-23-25(11-3)33-29(15-7)35-27(13-5)28(14-6)36(40-35)30(16-8)34-26(12-4)24(10-2)32(39-34)20-22-18-17-21(37-22)19-31(23)38-33;/h17-20,37-38H,9-16H2,1-8H3;/q;+3