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

Systemtic Name: 4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin-5-yl]benzoic acid Openeye Name: 4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin-5-yl]benzoic acid CAS Name: 4-[10,15,20-tris(1-methyl-4-pyridin-1-iumyl)-21,22-dihydroporphyrin-5-yl]benzoic acid IUPAC Name: 4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin-5-yl]benzoic acid Traditional Name: 4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphin-5-yl]benzoic acid Formula: C45H36N7O2+3 MolecularWeight: 706.81304

Click to see the large picture

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)C(=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)C(=O)O)N3

InChI

InChI=1S/C45H33N7O2/c1-50-22-16-29(17-23-50)42-35-10-8-33(46-35)41(28-4-6-32(7-5-28)45(53)54)34-9-11-36(47-34)43(30-18-24-51(2)25-19-30)38-13-15-40(49-38)44(39-14-12-37(42)48-39)31-20-26-52(3)27-21-31/h4-27H,1-3H3/p+3