6-[4-(10,15,20-tripyridin-4-yl-23,24-dihydroporphyrin-5-yl)pyridin-1-ium-1-yl]hexanoic acid

Systemtic Name: 6-[4-(10,15,20-tripyridin-4-yl-23,24-dihydroporphyrin-5-yl)pyridin-1-ium-1-yl]hexanoic acid Openeye Name: 6-[4-[10,15,20-tris(4-pyridyl)-23,24-dihydroporphyrin-5-yl]pyridin-1-ium-1-yl]hexanoic acid CAS Name: 6-[4-(10,15,20-tripyridin-4-yl-23,24-dihydroporphyrin-5-yl)-1-pyridin-1-iumyl]hexanoic acid IUPAC Name: 6-[4-(10,15,20-tripyridin-4-yl-23,24-dihydroporphyrin-5-yl)pyridin-1-ium-1-yl]hexanoic acid Traditional Name: 6-[4-[10,15,20-tris(4-pyridyl)-23,24-dihydroporphin-5-yl]pyridin-1-ium-1-yl]hexanoic acid Formula: C46H37N8O2+ MolecularWeight: 733.83838

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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)CCCCCC(=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)CCCCCC(=O)O)C8=CC=NC=C8)C9=CC=NC=C9

InChI

InChI=1S/C46H36N8O2/c55-42(56)4-2-1-3-27-54-28-19-33(20-29-54)46-40-11-9-38(52-40)44(31-15-23-48-24-16-31)36-7-5-34(50-36)43(30-13-21-47-22-14-30)35-6-8-37(51-35)45(32-17-25-49-26-18-32)39-10-12-41(46)53-39/h5-26,28-29H,1-4,27H2,(H2,50,51,52,53,55,56)/p+1