5,10,15,20-tetrakis(1-hept-6-enylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis(1-hept-6-enylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(1-hept-6-enylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(1-hept-6-enyl-4-pyridin-1-iumyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(1-hept-6-enylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(1-hept-6-enylpyridin-1-ium-4-yl)-21,22-dihydroporphine Formula: C68H78N8+4 MolecularWeight: 1007.40052

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCCC[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)CCCCCC=C)C8=CC=[N+](C=C8)CCCCCC=C)C9=CC=[N+](C=C9)CCCCCC=C)N3

Isomeric SMILES

C=CCCCCC[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)CCCCCC=C)C8=CC=[N+](C=C8)CCCCCC=C)C9=CC=[N+](C=C9)CCCCCC=C)N3

InChI

InChI=1S/C68H77N8/c1-5-9-13-17-21-41-73-45-33-53(34-46-73)65-57-25-27-59(69-57)66(54-35-47-74(48-36-54)42-22-18-14-10-6-2)61-29-31-63(71-61)68(56-39-51-76(52-40-56)44-24-20-16-12-8-4)64-32-30-62(72-64)67(60-28-26-58(65)70-60)55-37-49-75(50-38-55)43-23-19-15-11-7-3/h5-8,25-40,45-52H,1-4,9-24,41-44H2,(H,69,70,71,72)/q+3/p+1