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Substance Name: 4-Hydroxyphenyl-tris(methylpyridinium)acetato-manganese-porphine triacetate
RN: 127617-96-3
InChIKey: XVDKMPANONPUQX-FLYAKZGESA-K

Molecular Weight

  • 967.913
 
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Names and Synonyms

  • 4-Hydroxyphenyl-tris(methylpyridinium)acetato-manganese-porphine triacetate

Registry Numbers

CAS Registry Number

  • 127617-96-3

System Generated Number

  • 0127617963

Structure Descriptors

InChI

1S/C44H33N7O.4C2H4O2.Mn/c1-49-22-16-29(17-23-49)42-35-10-8-33(45-35)41(28-4-6-32(52)7-5-28)34-9-11-36(46-34)43(30-18-24-50(2)25-19-30)38-13-15-40(48-38)44(39-14-12-37(42)47-39)31-20-26-51(3)27-21-31;4*1-2(3)4;/h4-27H,1-3H3;4*1H3,(H,3,4);/q;;;;;+3/p-3/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;;;;;

InChIKey

XVDKMPANONPUQX-FLYAKZGESA-K

Smiles

C1=Cc2nc1c(c1ccc([n-]1)c(c1C=Cc(n1)c(c1ccc([n-]1)c2c1cc[n+](cc1)C)c1ccc(cc1)O)c1cc[n+](cc1)C)c1cc[n+](cc1)C.[Mn+3].O=C(C)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-]