copper 5,10,15-tris(1-prop-2-enylpyridin-1-ium-4-yl)-20-(1-prop-2-enylpyridin-4-ylidene)porphyrin-22-ide tetrabromide

Systemtic Name: copper 5,10,15-tris(1-prop-2-enylpyridin-1-ium-4-yl)-20-(1-prop-2-enylpyridin-4-ylidene)porphyrin-22-ide tetrabromide Openeye Name: copper 5,10,15-tris(1-allylpyridin-1-ium-4-yl)-20-(1-allyl-4-pyridylidene)porphyrin-22-ide tetrabromide CAS Name: copper 5,10,15-tris(1-prop-2-enyl-4-pyridin-1-iumyl)-20-(1-prop-2-enyl-4-pyridinylidene)porphyrin-22-ide tetrabromide IUPAC Name: copper 5,10,15-tris(1-prop-2-enylpyridin-1-ium-4-yl)-20-(1-prop-2-enylpyridin-4-ylidene)porphyrin-22-ide tetrabromide Traditional Name: cupric 5,10,15-tris(1-allylpyridin-1-ium-4-yl)-20-(1-allyl-4-pyridylidene)porphin-22-ide tetrabromide Formula: C52H44Br4CuN8 MolecularWeight: 1164.12136

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=CC(=C2C3=NC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)CC=C)C8=CC=[N+](C=C8)CC=C)C=C4)C9=CC=[N+](C=C9)CC=C)C=C3)C=C1.[Cu+2].[Br-].[Br-].[Br-].[Br-]

Isomeric SMILES

C=CCN1C=CC(=C2C3=NC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)CC=C)C8=CC=[N+](C=C8)CC=C)C=C4)C9=CC=[N+](C=C9)CC=C)C=C3)C=C1.[Cu+2].[Br-].[Br-].[Br-].[Br-]

InChI

InChI=1S/C52H44N8.4BrH.Cu/c1-5-25-57-29-17-37(18-30-57)49-41-9-11-43(53-41)50(38-19-31-58(26-6-2)32-20-38)45-13-15-47(55-45)52(40-23-35-60(28-8-4)36-24-40)48-16-14-46(56-48)51(44-12-10-42(49)54-44)39-21-33-59(27-7-3)34-22-39;;;;;/h5-24,29-36H,1-4,25-28H2;4*1H;/q+2;;;;;+2/p-4