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Substance Name: Porphyrin a
RN: 25162-02-1
InChIKey: OEKBVRFTJDBKQF-OCDAXXDCSA-N

Note

  • Porphyrin derivative.

Molecular Formula

  • C49-H58-N4-O6

Molecular Weight

  • 799.0192
 
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Names and Synonyms

Name of Substance

  • Porphyrin a

Systematic Name

  • 21H,23H-Porphine-2,18-dipropanoic acid, 7-ethenyl-17-formyl-12-(1-hydroxy-5,9,13-trimethyl-4,8,12-tetradecatrienyl)-3,8,13-trimethyl-, (E,E)-

Registry Numbers

CAS Registry Number

  • 25162-02-1

System Generated Number

  • 0025162021

Structure Descriptors

InChI

1S/C49H58N4O6/c1-9-34-31(6)39-25-45-49(46(55)18-12-17-30(5)16-11-15-29(4)14-10-13-28(2)3)33(8)40(52-45)24-44-37(27-54)36(20-22-48(58)59)43(53-44)26-42-35(19-21-47(56)57)32(7)38(51-42)23-41(34)50-39/h9,13,15,17,23-27,46,51-52,55H,1,10-12,14,16,18-22H2,2-8H3,(H,56,57)(H,58,59)/b29-15+,30-17+,38-23-,39-25-,40-24-,41-23-,42-26-,43-26-,44-24-,45-25-

InChIKey

OEKBVRFTJDBKQF-OCDAXXDCSA-N

Smiles

Cc1/c/2c/c3n/c(c\c4c(c(c([nH]4)/cc/5\nc(/cc(/c1CCC(=O)O)\[nH]2)C(=C5C=O)CCC(=O)O)C)C(CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)/C(=C3C=C)C