3-[4-(10,15,20-tripyridin-4-yl-23,24-dihydroporphyrin-5-yl)pyridin-1-ium-1-yl]propanoic acid

Systemtic Name: 3-[4-(10,15,20-tripyridin-4-yl-23,24-dihydroporphyrin-5-yl)pyridin-1-ium-1-yl]propanoic acid Openeye Name: 3-[4-[10,15,20-tris(4-pyridyl)-23,24-dihydroporphyrin-5-yl]pyridin-1-ium-1-yl]propanoic acid CAS Name: 3-[4-(10,15,20-tripyridin-4-yl-23,24-dihydroporphyrin-5-yl)-1-pyridin-1-iumyl]propanoic acid IUPAC Name: 3-[4-(10,15,20-tripyridin-4-yl-23,24-dihydroporphyrin-5-yl)pyridin-1-ium-1-yl]propanoic acid Traditional Name: 3-[4-[10,15,20-tris(4-pyridyl)-23,24-dihydroporphin-5-yl]pyridin-1-ium-1-yl]propionic acid Formula: C43H31N8O2+ MolecularWeight: 691.75864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=N5)C(=C1N2)C6=CC=NC=C6)C7=CC=[N+](C=C7)CCC(=O)O)C8=CC=NC=C8)C9=CC=NC=C9

Isomeric SMILES

C1=CC2=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=N5)C(=C1N2)C6=CC=NC=C6)C7=CC=[N+](C=C7)CCC(=O)O)C8=CC=NC=C8)C9=CC=NC=C9

InChI

InChI=1S/C43H30N8O2/c52-39(53)17-26-51-24-15-30(16-25-51)43-37-7-5-35(49-37)41(28-11-20-45-21-12-28)33-3-1-31(47-33)40(27-9-18-44-19-10-27)32-2-4-34(48-32)42(29-13-22-46-23-14-29)36-6-8-38(43)50-36/h1-16,18-25H,17,26H2,(H2,47,48,49,50,52,53)/p+1