copper 5,15-bis(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)porphyrin-21,22-diide

Systemtic Name: copper 5,15-bis(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)porphyrin-21,22-diide Openeye Name: copper 5,15-bis(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)porphyrin-21,22-diide CAS Name: copper 5,15-bis(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)porphyrin-21,22-diide IUPAC Name: copper 5,15-bis(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)porphyrin-21,22-diide Traditional Name: cupric 5,15-bis(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)porphine-21,22-diide Formula: C48H48CuN4O10 MolecularWeight: 904.46152

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCOC2=C(C=C(C=C2)C3=C4C=CC(=CC5=NC(=C(C6=NC(=CC7=CC=C3[N-]7)C=C6)C8=CC9=C(C=C8)OCCOCCOCCOCCO9)C=C5)[N-]4)OCCOCCO1.[Cu+2]

Isomeric SMILES

C1COCCOC2=C(C=C(C=C2)C3=C4C=CC(=CC5=NC(=C(C6=NC(=CC7=CC=C3[N-]7)C=C6)C8=CC9=C(C=C8)OCCOCCOCCOCCO9)C=C5)[N-]4)OCCOCCO1.[Cu+2]

InChI

InChI=1S/C48H48N4O10.Cu/c1-11-43-45(61-27-23-57-19-15-53-13-17-55-21-25-59-43)29-33(1)47-39-7-3-35(49-39)31-37-5-9-41(51-37)48(42-10-6-38(52-42)32-36-4-8-40(47)50-36)34-2-12-44-46(30-34)62-28-24-58-20-16-54-14-18-56-22-26-60-44;/h1-12,29-32H,13-28H2;/q-2;+2