[4-[10,15-bis(1-methylpyridin-1-ium-4-yl)-20-(1-methylpyridin-4-ylidene)porphyrin-23-id-5-yl]phenyl]-trimethyl-azanium; manganese(3+); pentaethanoate

Systemtic Name: [4-[10,15-bis(1-methylpyridin-1-ium-4-yl)-20-(1-methylpyridin-4-ylidene)porphyrin-23-id-5-yl]phenyl]-trimethyl-azanium; manganese(3+); pentaethanoate Openeye Name: manganic [4-[10,15-bis(1-methylpyridin-1-ium-4-yl)-20-(1-methyl-4-pyridylidene)porphyrin-23-id-5-yl]phenyl]-trimethyl-ammonium pentaacetate CAS Name: [4-[10,15-bis(1-methyl-4-pyridin-1-iumyl)-20-(1-methyl-4-pyridinylidene)-5-porphyrin-23-idyl]phenyl]-trimethylammonium; manganese(3+); pentaacetate IUPAC Name: [4-[10,15-bis(1-methylpyridin-1-ium-4-yl)-20-(1-methylpyridin-4-ylidene)porphyrin-23-id-5-yl]phenyl]-trimethylazanium; manganese(3+); pentaacetate Traditional Name: manganic [4-[10,15-bis(1-methylpyridin-1-ium-4-yl)-20-(1-methyl-4-pyridylidene)porphin-23-id-5-yl]phenyl]-trimethyl-ammonium pentaacetate Formula: C57H57MnN8O10 MolecularWeight: 1069.048129

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CN1C=CC(=C2C3=NC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)C)C8=CC=[N+](C=C8)C)C=C4)C9=CC=C(C=C9)[N+](C)(C)C)C=C3)C=C1.[Mn+3]

Isomeric SMILES

CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CN1C=CC(=C2C3=NC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)C)C8=CC=[N+](C=C8)C)C=C4)C9=CC=C(C=C9)[N+](C)(C)C)C=C3)C=C1.[Mn+3]

InChI

InChI=1S/C47H42N8.5C2H4O2.Mn/c1-52-25-19-32(20-26-52)45-38-13-11-36(48-38)44(31-7-9-35(10-8-31)55(4,5)6)37-12-14-39(49-37)46(33-21-27-53(2)28-22-33)41-16-18-43(51-41)47(42-17-15-40(45)50-42)34-23-29-54(3)30-24-34;5*1-2(3)4;/h7-30H,1-6H3;5*1H3,(H,3,4);/q+2;;;;;;+3/p-5