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Substance Name: 3(2),3(2)-Difluoroprotoporphyrin dimethyl ester
RN: 123386-99-2
InChIKey: VSGOQFCSXOXNFB-UQOLDQHFSA-N

Molecular Formula

  • C36-H36-F2-N4-O4

Molecular Weight

  • 626.7004
 
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Names and Synonyms

Name of Substance

  • 3(2),3(2)-Difluoroprotoporphyrin dimethyl ester

Synonyms

  • 3-Fppd
  • Dimethyl 8-(2,2-difluoroethenyl)-13-ethenyl-3,7,12,17-tetramethyl-21H,23H-prophine-2,18-dipropanoate

Systematic Name

  • 21H,23H-Prophine-2,18-dipropanoic acid, 8-(2,2-difluoroethenyl)-13-ethenyl-3,7,12,17-tetramethyl-, dimethyl ester

Registry Numbers

CAS Registry Number

  • 123386-99-2

System Generated Number

  • 0123386992

Structure Descriptors

InChI

1S/C36H36F2N4O4/c1-8-22-18(2)28-16-33-25(13-34(37)38)21(5)27(42-33)14-26-19(3)23(9-11-35(43)45-6)31(40-26)17-32-24(10-12-36(44)46-7)20(4)29(41-32)15-30(22)39-28/h8,13-17,39-40H,1,9-12H2,2-7H3/b26-14-,27-14-,28-16-,29-15-,30-15-,31-17-,32-17-,33-16-

InChIKey

VSGOQFCSXOXNFB-UQOLDQHFSA-N

Smiles

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