5,10,15,20-tetrakis(1-octylpyridin-1-ium-2-yl)-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis(1-octylpyridin-1-ium-2-yl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(1-octylpyridin-1-ium-2-yl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(1-octyl-2-pyridin-1-iumyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(1-octylpyridin-1-ium-2-yl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(1-octylpyridin-1-ium-2-yl)-21,22-dihydroporphine Formula: C72H94N8+4 MolecularWeight: 1071.57036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1=CC=CC=C1C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=[N+]7CCCCCCCC)C8=CC=CC=[N+]8CCCCCCCC)C9=CC=CC=[N+]9CCCCCCCC)N3

Isomeric SMILES

CCCCCCCC[N+]1=CC=CC=C1C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=[N+]7CCCCCCCC)C8=CC=CC=[N+]8CCCCCCCC)C9=CC=CC=[N+]9CCCCCCCC)N3

InChI

InChI=1S/C72H93N8/c1-5-9-13-17-21-29-49-77-53-33-25-37-65(77)69-57-41-43-59(73-57)70(66-38-26-34-54-78(66)50-30-22-18-14-10-6-2)61-45-47-63(75-61)72(68-40-28-36-56-80(68)52-32-24-20-16-12-8-4)64-48-46-62(76-64)71(60-44-42-58(69)74-60)67-39-27-35-55-79(67)51-31-23-19-15-11-7-3/h25-28,33-48,53-56H,5-24,29-32,49-52H2,1-4H3,(H,73,74,75,76)/q+3/p+1