copper 5-bromanyl-15-(4-methoxyphenoxy)-10,20-diphenyl-porphyrin-21,22-diide

Systemtic Name: copper 5-bromanyl-15-(4-methoxyphenoxy)-10,20-diphenyl-porphyrin-21,22-diide Openeye Name: copper 5-bromo-15-(4-methoxyphenoxy)-10,20-diphenyl-porphyrin-21,22-diide CAS Name: copper 5-bromo-15-(4-methoxyphenoxy)-10,20-diphenylporphyrin-21,22-diide IUPAC Name: copper 5-bromo-15-(4-methoxyphenoxy)-10,20-diphenylporphyrin-21,22-diide Traditional Name: cupric 5-bromo-15-(4-methoxyphenoxy)-10,20-diphenyl-porphine-21,22-diide Formula: C39H25BrCuN4O2 MolecularWeight: 725.0914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)Br)[N-]4)C8=CC=CC=C8.[Cu+2]

Isomeric SMILES

COC1=CC=C(C=C1)OC2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)Br)[N-]4)C8=CC=CC=C8.[Cu+2]

InChI

InChI=1S/C39H25BrN4O2.Cu/c1-45-26-12-14-27(15-13-26)46-39-34-22-18-30(43-34)36(24-8-4-2-5-9-24)28-16-20-32(41-28)38(40)33-21-17-29(42-33)37(25-10-6-3-7-11-25)31-19-23-35(39)44-31;/h2-23H,1H3;/q-2;+2