5,10,15,20-tetrakis[1,3-bis[2-(2-methoxyethoxy)ethyl]imidazol-1-ium-2-yl]-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis[1,3-bis[2-(2-methoxyethoxy)ethyl]imidazol-1-ium-2-yl]-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis[1,3-bis[2-(2-methoxyethoxy)ethyl]imidazol-1-ium-2-yl]-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis[1,3-bis[2-(2-methoxyethoxy)ethyl]-2-imidazol-1-iumyl]-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis[1,3-bis[2-(2-methoxyethoxy)ethyl]imidazol-1-ium-2-yl]-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis[1,3-bis[2-(2-methoxyethoxy)ethyl]imidazol-1-ium-2-yl]-21,22-dihydroporphine Formula: C72H106N12O16+4 MolecularWeight: 1395.68284

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCCN1C=C[N+](=C1C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=[N+](C=CN7CCOCCOC)CCOCCOC)C8=[N+](C=CN8CCOCCOC)CCOCCOC)C9=[N+](C=CN9CCOCCOC)CCOCCOC)N3)CCOCCOC

Isomeric SMILES

COCCOCCN1C=C[N+](=C1C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=[N+](C=CN7CCOCCOC)CCOCCOC)C8=[N+](C=CN8CCOCCOC)CCOCCOC)C9=[N+](C=CN9CCOCCOC)CCOCCOC)N3)CCOCCOC

InChI

InChI=1S/C72H105N12O16/c1-85-41-49-93-33-25-77-17-18-78(26-34-94-50-42-86-2)69(77)65-57-9-11-59(73-57)66(70-79(27-35-95-51-43-87-3)19-20-80(70)28-36-96-52-44-88-4)61-13-15-63(75-61)68(72-83(31-39-99-55-47-91-7)23-24-84(72)32-40-100-56-48-92-8)64-16-14-62(76-64)67(60-12-10-58(65)74-60)71-81(29-37-97-53-45-89-5)21-22-82(71)30-38-98-54-46-90-6/h9-24H,25-56H2,1-8H3,(H,73,74,75,76)/q+3/p+1