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

Systemtic Name: 5-[4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin-5-yl]phenoxy]pentanoic acid Openeye Name: 5-[4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin-5-yl]phenoxy]pentanoic acid CAS Name: 5-[4-[10,15,20-tris(1-methyl-4-pyridin-1-iumyl)-21,22-dihydroporphyrin-5-yl]phenoxy]pentanoic acid IUPAC Name: 5-[4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin-5-yl]phenoxy]pentanoic acid Traditional Name: 5-[4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphin-5-yl]phenoxy]valeric acid Formula: C49H44N7O3+3 MolecularWeight: 778.91876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C49H41N7O3/c1-54-25-19-33(20-26-54)47-39-13-11-37(50-39)46(32-7-9-36(10-8-32)59-31-5-4-6-45(57)58)38-12-14-40(51-38)48(34-21-27-55(2)28-22-34)42-16-18-44(53-42)49(43-17-15-41(47)52-43)35-23-29-56(3)30-24-35/h7-30H,4-6,31H2,1-3H3/p+3