Chem
J-GLOBAL ID：200907001086366408   Nikkaji number：J1.734.033F

21,74,121,174-Tetrakis(isoamyloxy)-22,23,72,73,122,123,172,173-octachloro-24,71-(1,4,7,10-tetraoxadecane-1,10-diyl)-124,171-(1,4,7,10-tetraoxadecane-1,10-diyl)-21H,23H-tetrabenzo[b,g,l,q]porphyrin

21,74,121,174-テトラキス(イソアミルオキシ)-22,23,72,73,122,123,172,173-オクタクロロ-24,71-(1,4,7,10-テトラオキサデカン-1,10-ジイル)-124,171-(1,4,7,10-テトラオキサデカン-1,10-ジイル)-21H,23H-テトラベンゾ[b,g,l,q]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： C68H74Cl8N4O12
Molecular formula furigana： C68-H74-CL8-N4-O12
Molecular weight： 1422.960
InChI： InChI=1S/C68H74Cl8N4O12/c1-33(2)9-13-85-61-45-37-29-38-46-51-43(78-38)32-44-52-48(64(88-16-12-36(7)8)56(72)60(76)68(52)92-28-24-84-20-19-83-23-27-91-67(51)58(74)54(70)62(46)86-14-10-34(3)4)40(80-44)30-39-47-50-42(79-39)31-41(77-37)49(45)65(57(73)53(61)69)89-25-21-81-17-18-82-22-26-90-66(50)59(75)55(71)63(47)87-15-11-35(5)6/h29-36,77,80H,9-28H2,1-8H3/b37-29-,38-29?,39-30-,40-30?,41-31-,42-31?,43-32+,44-32?
InChI key： ITSSRSGKCOYQFL-KOIJLROTSA-N
SMILES： CC(C)CCOc1c(Cl)c(Cl)c2OCCOCCOCCOc3c(Cl)c(Cl)c(OCCC(C)C)c4c5C=C6N=C7C=c8[nH]c(=CC9=NC(=Cc([nH]5)c34)c2c19)c1c(OCCC(C)C)c(Cl)c(Cl)c(OCCOCCOCCOc2c(Cl)c(Cl)c(OCCC(C)C)c6c72)c81
Systematic name  (3)：
  • 21,74,121,174-テトラキス(イソアミルオキシ)-22,23,72,73,122,123,172,173-オクタクロロ-24,71-(1,4,7,10-テトラオキサデカン-1,10-ジイル)-124,171-(1,4,7,10-テトラオキサデカン-1,10-ジイル)-21H,23H-テトラベンゾ[b,g,l,q]ポルフィリン
  • 11,12,25,26,40,41,54,55-オクタクロロ-10,27,39,56-テトラキス(3-メチルブトキシ)-14,17,20,23,43,46,49,52-オクタオキサ-2,6,31,35-テトラアザウンデカシクロ[34.22.1.17,30.03,57.05,9.08,13.024,29.028,32.034,38.037,42.053,58]ヘキサコンタ-1,3,5(9),7,10,12,24(29),25,27,30(60),31,33,36(59),37(42),38,40,53(58),54,56-ノナデカエン
  • 11,12,25,26,40,41,54,55-octachloro-10,27,39,56-tetrakis(3-methylbutoxy)-14,17,20,23,43,46,49,52-octaoxa-2,6,31,35-tetraazaundecacyclo[34.22.1.17,30.03,57.05,9.08,13.024,29.028,32.034,38.037,42.053,58]hexaconta-1,3,5(9),7,10,12,24(29),25,27,30(60),31,33,36(59),37(42),38,40,53(58),54,56-nonadecaene
Other name (1)：
  • 21,74,121,174-Tetrakis(isoamyloxy)-22,23,72,73,122,123,172,173-octachloro-24,71-(1,4,7,10-tetraoxadecane-1,10-diyl)-124,171-(1,4,7,10-tetraoxadecane-1,10-diyl)-21H,23H-tetrabenzo[b,g,l,q]porphyrin
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