2-[4-(10,15,20-tripyridin-4-yl-23,24-dihydroporphyrin-5-yl)pyridin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[4-(10,15,20-tripyridin-4-yl-23,24-dihydroporphyrin-5-yl)pyridin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[4-[10,15,20-tris(4-pyridyl)-23,24-dihydroporphyrin-5-yl]pyridin-1-ium-1-yl]acetic acid CAS Name: 2-[4-(10,15,20-tripyridin-4-yl-23,24-dihydroporphyrin-5-yl)-1-pyridin-1-iumyl]acetic acid IUPAC Name: 2-[4-(10,15,20-tripyridin-4-yl-23,24-dihydroporphyrin-5-yl)pyridin-1-ium-1-yl]acetic acid Traditional Name: 2-[4-[10,15,20-tris(4-pyridyl)-23,24-dihydroporphin-5-yl]pyridin-1-ium-1-yl]acetic acid Formula: C42H29N8O2+ MolecularWeight: 677.73206

Click to see the large picture

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

InChI

InChI=1S/C42H28N8O2/c51-38(52)25-50-23-15-29(16-24-50)42-36-7-5-34(48-36)40(27-11-19-44-20-12-27)32-3-1-30(46-32)39(26-9-17-43-18-10-26)31-2-4-33(47-31)41(28-13-21-45-22-14-28)35-6-8-37(42)49-35/h1-24H,25H2,(H2,46,47,48,49,51,52)/p+1