Chem
J-GLOBAL ID：200907058020601700   Nikkaji number：J1.459.100A

21H,23H-Tetrabenzo[b,g,l,q]porphyrin-22,23,72,73,122,123,172,173-octacarboxylic acid octamethyl ester

21H,23H-テトラベンゾ[b,g,l,q]ポルフィリン-22,23,72,73,122,123,172,173-オクタカルボン酸オクタメチル
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： C52H38N4O16
Molecular formula furigana： C52-H38-N4-O16
Molecular weight： 974.888
InChI： InChI=1S/C52H38N4O16/c1-65-45(57)29-9-21-22(10-30(29)46(58)66-2)38-18-40-25-13-33(49(61)69-5)34(50(62)70-6)14-26(25)42(55-40)20-44-28-16-36(52(64)72-8)35(51(63)71-7)15-27(28)43(56-44)19-41-24-12-32(48(60)68-4)31(47(59)67-3)11-23(24)39(54-41)17-37(21)53-38/h9-20,53,56H,1-8H3/b37-17-,38-18-,39-17-,40-18-,41-19-,42-20-,43-19-,44-20-
InChI key： PKNYOXJZWLATCZ-GJVPJOISSA-N
SMILES： COC(=O)c1cc2C3=N/C(=C\c4[nH]c(/C=C/5\N=C(/C=c/6\[nH]/c(=C\3)/c3c6cc(C(=O)OC)c(c3)C(=O)OC)c3c5cc(C(=O)OC)c(c3)C(=O)OC)c3c4cc(C(=O)OC)c(c3)C(=O)OC)/c2cc1C(=O)OC
Systematic name  (3)：
  • 21H,23H-テトラベンゾ[b,g,l,q]ポルフィリン-22,23,72,73,122,123,172,173-オクタカルボン酸オクタメチル
  • 6,7,15,16,24,25,33,34-オクタメチル 37,38,39,40-テトラアザノナシクロ[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]テトラコンタ-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-ノナデカエン-6,7,15,16,24,25,33,34-オクタカルボキシラート
  • 6,7,15,16,24,25,33,34-octamethyl 37,38,39,40-tetraazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaen-6,7,15,16,24,25,33,34-octacarboxylate
Other name (1)：
  • 21H,23H-Tetrabenzo[b,g,l,q]porphyrin-22,23,72,73,122,123,172,173-octacarboxylic acid octamethyl ester
Thsaurus map：
Thesaurus Map

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