diethyl 21,22-dihydroporphyrin-5,15-dicarboxylate; manganese; chloride

Systemtic Name: diethyl 21,22-dihydroporphyrin-5,15-dicarboxylate; manganese; chloride Openeye Name: diethyl 21,22-dihydroporphyrin-5,15-dicarboxylate; manganese; chloride CAS Name: 21,22-dihydroporphyrin-5,15-dicarboxylic acid diethyl ester; manganese; chloride IUPAC Name: diethyl 21,22-dihydroporphyrin-5,15-dicarboxylate; manganese; chloride Traditional Name: 21,22-dihydroporphine-5,15-dicarboxylic acid diethyl ester; manganese; chloride Formula: C26H22ClMnN4O4- MolecularWeight: 544.868329

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=CC(=CC3=NC(=C(C4=NC(=CC5=CC=C1N5)C=C4)C(=O)OCC)C=C3)N2.[Cl-].[Mn]

Isomeric SMILES

CCOC(=O)C1=C2C=CC(=CC3=NC(=C(C4=NC(=CC5=CC=C1N5)C=C4)C(=O)OCC)C=C3)N2.[Cl-].[Mn]

InChI

InChI=1S/C26H22N4O4.ClH.Mn/c1-3-33-25(31)23-19-9-5-15(27-19)13-17-7-11-21(29-17)24(26(32)34-4-2)22-12-8-18(30-22)14-16-6-10-20(23)28-16;;/h5-14,27-28H,3-4H2,1-2H3;1H;/p-1