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

Systemtic Name: dipropyl 21,22-dihydroporphyrin-5,15-dicarboxylate; manganese; chloride Openeye Name: dipropyl 21,22-dihydroporphyrin-5,15-dicarboxylate; manganese; chloride CAS Name: 21,22-dihydroporphyrin-5,15-dicarboxylic acid dipropyl ester; manganese; chloride IUPAC Name: dipropyl 21,22-dihydroporphyrin-5,15-dicarboxylate; manganese; chloride Traditional Name: 21,22-dihydroporphine-5,15-dicarboxylic acid dipropyl ester; manganese; chloride Formula: C28H26ClMnN4O4- MolecularWeight: 572.921489

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26N4O4.ClH.Mn/c1-3-13-35-27(33)25-21-9-5-17(29-21)15-19-7-11-23(31-19)26(28(34)36-14-4-2)24-12-8-20(32-24)16-18-6-10-22(25)30-18;;/h5-12,15-16,29-30H,3-4,13-14H2,1-2H3;1H;/p-1