5,10,15,20-tetrakis[3-(3-bromanylpropoxy)phenyl]-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis[3-(3-bromanylpropoxy)phenyl]-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis[3-(3-bromopropoxy)phenyl]-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis[3-(3-bromopropoxy)phenyl]-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis[3-(3-bromopropoxy)phenyl]-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis[3-(3-bromopropoxy)phenyl]-21,22-dihydroporphine Formula: C56H50Br4N4O4 MolecularWeight: 1162.6366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCCCBr)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC(=CC=C7)OCCCBr)C8=CC(=CC=C8)OCCCBr)C9=CC(=CC=C9)OCCCBr)N3

Isomeric SMILES

C1=CC(=CC(=C1)OCCCBr)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC(=CC=C7)OCCCBr)C8=CC(=CC=C8)OCCCBr)C9=CC(=CC=C9)OCCCBr)N3

InChI

InChI=1S/C56H50Br4N4O4/c57-25-5-29-65-41-13-1-9-37(33-41)53-45-17-19-47(61-45)54(38-10-2-14-42(34-38)66-30-6-26-58)49-21-23-51(63-49)56(40-12-4-16-44(36-40)68-32-8-28-60)52-24-22-50(64-52)55(48-20-18-46(53)62-48)39-11-3-15-43(35-39)67-31-7-27-59/h1-4,9-24,33-36,61-62H,5-8,25-32H2