Chem
J-GLOBAL ID：200907080169813985   Nikkaji number：J192.196G

Octaethylporphyrin

オクタエチルポルフィリン
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： C36H46N4
Molecular formula furigana： C36-H46-N4
Molecular weight： 534.792
InChI： InChI=1S/C36H46N4/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30/h17-20,37,40H,9-16H2,1-8H3/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-
InChI key： HCIIFBHDBOCSAF-MUZKIALCSA-N
SMILES： CCC1=C(CC)C2=N/C/1=C\c1[nH]c(/C=C/3\N=C(/C=c/4\[nH]/c(=C\2)/c(c4CC)CC)C(=C3CC)CC)c(c1CC)CC
Systematic name  (4)：
  • 2,3,7,8,12,13,17,18-オクタキスエチル-21H,23H-ポルフィリン
  • 2,3,7,8,12,13,17,18-オクタエチル-21H,23H-ポルフィリン
  • 4,5,9,10,14,15,19,20-オクタエチル-21,22,23,24-テトラアザペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1,3,5,7,9,11(23),12,14,16,18(21),19-ウンデカエン
  • 4,5,9,10,14,15,19,20-octaethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene
Other name (8)：
  • 2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphyrin
  • オクタエチルポルフィリン
  • Octaethylporphyrin
  • 2,3,7,8,12,13,17,18-Octakisethyl-21H,23H-porphyrin
  • β-オクタエチルポルフィリン
Show all
CAS registry number： 2683-82-1
Regulation number (2)：
  • EINECS2202438
  • TSCA(2683-82-1)
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