iron(2+); 2,17,18,20-tetrakis(2-bromophenyl)-21,22-dihydroporphyrin

Systemtic Name: iron(2+); 2,17,18,20-tetrakis(2-bromophenyl)-21,22-dihydroporphyrin Openeye Name: ferrous 2,17,18,20-tetrakis(2-bromophenyl)-21,22-dihydroporphyrin CAS Name: iron(2+); 2,17,18,20-tetrakis(2-bromophenyl)-21,22-dihydroporphyrin IUPAC Name: iron(2+); 2,17,18,20-tetrakis(2-bromophenyl)-21,22-dihydroporphyrin Traditional Name: ferrous 2,17,18,20-tetrakis(2-bromophenyl)-21,22-dihydroporphine Formula: C44H26Br4FeN4+2 MolecularWeight: 986.16504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C3C(=C4C(=C(C(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6)C7=CC=CC=C7Br)C8=CC=CC=C8Br)C9=CC=CC=C9Br)Br.[Fe+2]

Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C(=C4C(=C(C(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6)C7=CC=CC=C7Br)C8=CC=CC=C8Br)C9=CC=CC=C9Br)Br.[Fe+2]

InChI

InChI=1S/C44H26Br4N4.Fe/c45-35-13-5-1-9-30(35)34-23-29-22-27-18-17-25(49-27)21-26-19-20-28(50-26)24-39-40(31-10-2-6-14-36(31)46)41(32-11-3-7-15-37(32)47)44(52-39)42(43(34)51-29)33-12-4-8-16-38(33)48;/h1-24,49,51H;/q;+2