manganese(2+); 5,10,15,20-tetrakis[3,5-bis(chloranyl)-2,6-dimethoxy-phenyl]-2,3,7,8,12,13,17,18-octakis(chloranyl)porphyrin-21,22-diide

Systemtic Name: manganese(2+); 5,10,15,20-tetrakis[3,5-bis(chloranyl)-2,6-dimethoxy-phenyl]-2,3,7,8,12,13,17,18-octakis(chloranyl)porphyrin-21,22-diide Openeye Name: manganous 2,3,7,8,12,13,17,18-octachloro-5,10,15,20-tetrakis(3,5-dichloro-2,6-dimethoxy-phenyl)porphyrin-21,22-diide CAS Name: manganese(2+); 2,3,7,8,12,13,17,18-octachloro-5,10,15,20-tetrakis(3,5-dichloro-2,6-dimethoxyphenyl)porphyrin-21,22-diide IUPAC Name: manganese(2+); 2,3,7,8,12,13,17,18-octachloro-5,10,15,20-tetrakis(3,5-dichloro-2,6-dimethoxyphenyl)porphyrin-21,22-diide Traditional Name: manganous 2,3,7,8,12,13,17,18-octachloro-5,10,15,20-tetrakis(3,5-dichloro-2,6-dimethoxy-phenyl)porphine-21,22-diide Formula: C52H28Cl16MnN4O8 MolecularWeight: 1458.986769

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1Cl)Cl)OC)C2=C3C(=C(C(=C(C4=NC(=C(C5=NC(=C(C6=C(C(=C2[N-]6)Cl)Cl)C7=C(C(=CC(=C7OC)Cl)Cl)OC)C(=C5Cl)Cl)C8=C(C(=CC(=C8OC)Cl)Cl)OC)C(=C4Cl)Cl)C9=C(C(=CC(=C9OC)Cl)Cl)OC)[N-]3)Cl)Cl.[Mn+2]

Isomeric SMILES

COC1=C(C(=C(C=C1Cl)Cl)OC)C2=C3C(=C(C(=C(C4=NC(=C(C5=NC(=C(C6=C(C(=C2[N-]6)Cl)Cl)C7=C(C(=CC(=C7OC)Cl)Cl)OC)C(=C5Cl)Cl)C8=C(C(=CC(=C8OC)Cl)Cl)OC)C(=C4Cl)Cl)C9=C(C(=CC(=C9OC)Cl)Cl)OC)[N-]3)Cl)Cl.[Mn+2]

InChI

InChI=1S/C52H28Cl16N4O8.Mn/c1-73-45-13(53)9-14(54)46(74-2)25(45)21-37-29(61)31(63)39(69-37)22(26-47(75-3)15(55)10-16(56)48(26)76-4)41-33(65)35(67)43(71-41)24(28-51(79-7)19(59)12-20(60)52(28)80-8)44-36(68)34(66)42(72-44)23(40-32(64)30(62)38(21)70-40)27-49(77-5)17(57)11-18(58)50(27)78-6;/h9-12H,1-8H3;/q-2;+2