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

Systemtic Name: dibutyl 21,22-dihydroporphyrin-5,15-dicarboxylate; manganese; chloride Openeye Name: dibutyl 21,22-dihydroporphyrin-5,15-dicarboxylate; manganese; chloride CAS Name: 21,22-dihydroporphyrin-5,15-dicarboxylic acid dibutyl ester; manganese; chloride IUPAC Name: dibutyl 21,22-dihydroporphyrin-5,15-dicarboxylate; manganese; chloride Traditional Name: 21,22-dihydroporphine-5,15-dicarboxylic acid dibutyl ester; manganese; chloride Formula: C30H30ClMnN4O4- MolecularWeight: 600.974649

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H30N4O4.ClH.Mn/c1-3-5-15-37-29(35)27-23-11-7-19(31-23)17-21-9-13-25(33-21)28(30(36)38-16-6-4-2)26-14-10-22(34-26)18-20-8-12-24(27)32-20;;/h7-14,17-18,31-32H,3-6,15-16H2,1-2H3;1H;/p-1