3-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin-5-yl]benzoic acid trichloride

Systemtic Name: 3-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin-5-yl]benzoic acid trichloride Openeye Name: 3-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin-5-yl]benzoic acid trichloride CAS Name: 3-[10,15,20-tris(1-methyl-4-pyridin-1-iumyl)-21,22-dihydroporphyrin-5-yl]benzoic acid trichloride IUPAC Name: 3-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin-5-yl]benzoic acid trichloride Traditional Name: 3-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphin-5-yl]benzoic acid trichloride Formula: C45H36Cl3N7O2 MolecularWeight: 813.17204

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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(=CC=C9)C(=O)O)N3.[Cl-].[Cl-].[Cl-]

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(=CC=C9)C(=O)O)N3.[Cl-].[Cl-].[Cl-]

InChI

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