ethyl 5-[4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin-5-yl]phenoxy]pentanoate

Systemtic Name: ethyl 5-[4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin-5-yl]phenoxy]pentanoate Openeye Name: ethyl 5-[4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin-5-yl]phenoxy]pentanoate CAS Name: 5-[4-[10,15,20-tris(1-methyl-4-pyridin-1-iumyl)-21,22-dihydroporphyrin-5-yl]phenoxy]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin-5-yl]phenoxy]pentanoate Traditional Name: 5-[4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphin-5-yl]phenoxy]valeric acid ethyl ester Formula: C51H48N7O3+3 MolecularWeight: 806.97192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCOC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=[N+](C=C7)C)C=C5)C8=CC=[N+](C=C8)C)C=C4)C9=CC=[N+](C=C9)C)N3

Isomeric SMILES

CCOC(=O)CCCCOC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=[N+](C=C7)C)C=C5)C8=CC=[N+](C=C8)C)C=C4)C9=CC=[N+](C=C9)C)N3

InChI

InChI=1S/C51H47N7O3/c1-5-60-47(59)8-6-7-33-61-38-11-9-34(10-12-38)48-39-13-15-41(52-39)49(35-21-27-56(2)28-22-35)43-17-19-45(54-43)51(37-25-31-58(4)32-26-37)46-20-18-44(55-46)50(42-16-14-40(48)53-42)36-23-29-57(3)30-24-36/h9-32H,5-8,33H2,1-4H3,(H,52,53,54,55)/q+2/p+1