5,10,15,20-tetrakis(1-octylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis(1-octylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(1-octylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(1-octyl-4-pyridin-1-iumyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(1-octylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(1-octylpyridin-1-ium-4-yl)-21,22-dihydroporphine Formula: C72H94N8+4 MolecularWeight: 1071.57036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)CCCCCCCC)C8=CC=[N+](C=C8)CCCCCCCC)C9=CC=[N+](C=C9)CCCCCCCC)N3

Isomeric SMILES

CCCCCCCC[N+]1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)CCCCCCCC)C8=CC=[N+](C=C8)CCCCCCCC)C9=CC=[N+](C=C9)CCCCCCCC)N3

InChI

InChI=1S/C72H93N8/c1-5-9-13-17-21-25-45-77-49-37-57(38-50-77)69-61-29-31-63(73-61)70(58-39-51-78(52-40-58)46-26-22-18-14-10-6-2)65-33-35-67(75-65)72(60-43-55-80(56-44-60)48-28-24-20-16-12-8-4)68-36-34-66(76-68)71(64-32-30-62(69)74-64)59-41-53-79(54-42-59)47-27-23-19-15-11-7-3/h29-44,49-56H,5-28,45-48H2,1-4H3,(H,73,74,75,76)/q+3/p+1