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Substance Name: 5,10,15,20-Pyromellitoyl(tetrakis(2-oxyethoxyphenyl))porphyrin
RN: 55106-64-4
InChIKey: XWRDYNPQMSMNGD-KIYNEMRHSA-N

Note

  • Capped porphyrin cpd.

Molecular Weight

  • 1090.87
 
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Names and Synonyms

Name of Substance

  • 5,10,15,20-Pyromellitoyl(tetrakis(2-oxyethoxyphenyl))porphyrin

Synonym

  • Ptkoe-porphyrin

Systematic Name

  • Iron, (16,17,23,24,41,42,48,49-octahydro-51H,57H-6,9:31,34-diimino-5,35:10,30-di(2)pyrrolyl(5)ylidene-19H,44H-tetrabenzo(m,m',u,u')benzo(1,2-f:4,5-f')bis(1,4,9,12)tetraoxacyclodocosin-19,21,44,46-tetronato(2-)-N52,N56,N58,N62)-, (SP-4-1)-

Registry Numbers

CAS Registry Number

  • 55106-64-4

System Generated Number

  • 0055106644

Structure Descriptors

InChI

1S/C62H42N4O12.Fe/c67-59-39-33-41-42-34-40(39)60(68)76-30-26-72-52-14-6-2-10-36(52)56-44-18-17-43(63-44)55(35-9-1-5-13-51(35)71-25-29-75-59)47-21-22-48(65-47)57(37-11-3-7-15-53(37)73-27-31-77-61(41)69)45-19-20-46(64-45)58(50-24-23-49(56)66-50)38-12-4-8-16-54(38)74-28-32-78-62(42)70;/h1-24,33-34H,25-32H2;/q-2;+2/b55-43-,55-47-,56-44-,56-49-,57-45-,57-48-,58-46-,58-50-;

InChIKey

XWRDYNPQMSMNGD-KIYNEMRHSA-N

Smiles

[Fe+2].C1COC(c2cc3C(OCCOc4c(cccc4)c4c5nc(c(c6c(cccc6)O1)c1ccc(c6c7nc(c(c8[n-]c4cc8)c4c(cccc4)OCCOC(=O)c3cc2C(OCCOc2ccccc62)=O)C=C7)[n-]1)C=C5)=O)=O