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Substance Name: Trimethylammoniophenyl-tris(methylpyridinium)acetato-manganese-porphine tetraacetate
RN: 127617-94-1
InChIKey: FQEOWDUIJRMBJL-UHFFFAOYSA-I

Molecular Weight

  • 1069.06
 
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Names and Synonyms

  • Trimethylammoniophenyl-tris(methylpyridinium)acetato-manganese-porphine tetraacetate

Registry Numbers

CAS Registry Number

  • 127617-94-1

System Generated Number

  • 0127617941

Structure Descriptors

InChI

1S/C47H42N8.5C2H4O2.Mn/c1-52-25-19-32(20-26-52)45-38-13-11-36(48-38)44(31-7-9-35(10-8-31)55(4,5)6)37-12-14-39(49-37)46(33-21-27-53(2)28-22-33)41-16-18-43(51-41)47(42-17-15-40(45)50-42)34-23-29-54(3)30-24-34;5*1-2(3)4;/h7-30H,1-6H3;5*1H3,(H,3,4);/q+2;;;;;;+3/p-5

InChIKey

FQEOWDUIJRMBJL-UHFFFAOYSA-I

Smiles

C=1c2nc(c(c3[n-]c(cc3)c(c3nc(C=C3)c(c3[n-]c(cc3)c2c2cc[n+](cc2)C)c2cc[n+](C)cc2)c2ccc(cc2)[N+](C)(C)C)c2cc[n+](cc2)C)C1.[Mn+3].O=C(C)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-]