Chem
J-GLOBAL ID：200907002846917090   Nikkaji number：J2.119.857I

10,20-Bis[3-(allyloxy)propyl]-15-(1-methyl-1H-imidazole-2-yl)-5-[3,5-bis(acetylthiomethyl)phenyl]-21H,23H-porphyrin

10,20-ビス[3-(アリルオキシ)プロピル]-15-(1-メチル-1H-イミダゾール-2-イル)-5-[3,5-ビス(アセチルチオメチル)フェニル]-21H,23H-ポルフィリン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C48H50N6O4S2
Molecular formula furigana： C48-H50-N6-O4-S2
Molecular weight： 839.090
InChI： InChI=1S/C48H50N6O4S2/c1-6-22-57-24-8-10-36-38-12-16-42(50-38)46(35-27-33(29-59-31(3)55)26-34(28-35)30-60-32(4)56)43-17-13-39(51-43)37(11-9-25-58-23-7-2)41-15-19-45(53-41)47(44-18-14-40(36)52-44)48-49-20-21-54(48)5/h6-7,12-21,26-28,50,53H,1-2,8-11,22-25,29-30H2,3-5H3/b38-36-,39-37-,40-36-,41-37-,46-42-,46-43-,47-44+,47-45+
InChI key： GVXFGPDEXXSPKB-ZFNUTPKZSA-N
SMILES： CC(=O)SCc1cc(CSC(=O)C)cc(c1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/CCCOCC=C)[nH]4)/c1nccn1C)/C=C3)\CCCOCC=C)/[nH]2
Systematic name  (1)：
  • 10,20-ビス[3-(アリルオキシ)プロピル]-15-(1-メチル-1H-イミダゾール-2-イル)-5-[3,5-ビス(アセチルチオメチル)フェニル]-21H,23H-ポルフィリン
Other name (1)：
  • 10,20-Bis[3-(allyloxy)propyl]-15-(1-methyl-1H-imidazole-2-yl)-5-[3,5-bis(acetylthiomethyl)phenyl]-21H,23H-porphyrin
Thsaurus map：
Thesaurus Map

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