manganese(2+); 5,10,15,20-tetrakis[2,6-bis(chloranyl)phenyl]-2-nitro-porphyrin-23,24-diide

Systemtic Name: manganese(2+); 5,10,15,20-tetrakis[2,6-bis(chloranyl)phenyl]-2-nitro-porphyrin-23,24-diide Openeye Name: manganous 5,10,15,20-tetrakis(2,6-dichlorophenyl)-2-nitro-porphyrin-23,24-diide CAS Name: manganese(2+); 5,10,15,20-tetrakis(2,6-dichlorophenyl)-2-nitroporphyrin-23,24-diide IUPAC Name: manganese(2+); 5,10,15,20-tetrakis(2,6-dichlorophenyl)-2-nitroporphyrin-23,24-diide Traditional Name: manganous 5,10,15,20-tetrakis(2,6-dichlorophenyl)-2-nitro-porphine-23,24-diide Formula: C44H19Cl8MnN5O2 MolecularWeight: 988.216009

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C(=CC(=N5)C(=C6C=CC2=N6)C7=C(C=CC=C7Cl)Cl)[N+](=O)[O-])C8=C(C=CC=C8Cl)Cl)C9=C(C=CC=C9Cl)Cl)[N-]3)Cl.[Mn+2]

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C(=CC(=N5)C(=C6C=CC2=N6)C7=C(C=CC=C7Cl)Cl)[N+](=O)[O-])C8=C(C=CC=C8Cl)Cl)C9=C(C=CC=C9Cl)Cl)[N-]3)Cl.[Mn+2]

InChI

InChI=1S/C44H19Cl8N5O2.Mn/c45-20-5-1-6-21(46)36(20)40-28-13-14-29(53-28)41(37-22(47)7-2-8-23(37)48)31-17-18-33(55-31)43(39-26(51)11-4-12-27(39)52)44-35(57(58)59)19-34(56-44)42(32-16-15-30(40)54-32)38-24(49)9-3-10-25(38)50;/h1-19H;/q-2;+2