Chem
J-GLOBAL ID：201307038343119011   Nikkaji number：J3.192.269K

5,10,15,20-Tetra(3-ethoxycarbonylphenyl)-21H,23H-tetrabenzo[b,g,l,q]porphyrin-22,23,72,73,122,123,172,173-octa(carboxylic acid methyl) ester

5,10,15,20-テトラ(3-エトキシカルボニルフェニル)-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： C88H70N4O24
Molecular formula furigana： C88-H70-N4-O24
Molecular weight： 1567.532
InChI： InChI=1S/C88H70N4O24/c1-13-113-77(93)45-25-17-21-41(29-45)65-69-49-33-57(81(97)105-5)59(83(99)107-7)35-51(49)71(89-69)66(42-22-18-26-46(30-42)78(94)114-14-2)73-53-37-61(85(101)109-9)63(87(103)111-11)39-55(53)75(91-73)68(44-24-20-28-48(32-44)80(96)116-16-4)76-56-40-64(88(104)112-12)62(86(102)110-10)38-54(56)74(92-76)67(43-23-19-27-47(31-43)79(95)115-15-3)72-52-36-60(84(100)108-8)58(82(98)106-6)34-50(52)70(65)90-72/h17-40,89,92H,13-16H2,1-12H3/b69-65-,70-65-,71-66-,72-67-,73-66-,74-67-,75-68-,76-68-
InChI key： XKFGVHDJKAFUFI-CDOXUQPXSA-N
SMILES： CCOC(=O)c1cccc(c1)/C/1=C\2/N=C(/C(=c/3\[nH]/c(=C(/c4cccc(c4)C(=O)OCC)\C4=N/C(=C(/c5cccc(c5)C(=O)OCC)\c5[nH]c1c1cc(C(=O)OC)c(cc51)C(=O)OC)/c1cc(C(=O)OC)c(cc41)C(=O)OC)/c1cc(C(=O)OC)c(cc31)C(=O)OC)/c1cccc(c1)C(=O)OCC)c1cc(C(=O)OC)c(cc21)C(=O)OC
Systematic name  (3)：
  • 5,10,15,20-テトラ(3-エトキシカルボニルフェニル)-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(カルボン酸メチル)
  • 6,7,15,16,24,25,33,34-オクタメチル 2,11,20,29-テトラキス[3-(エトキシカルボニル)フェニル]-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 2,11,20,29-tetrakis[3-(ethoxycarbonyl)phenyl]-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)：
  • 5,10,15,20-Tetra(3-ethoxycarbonylphenyl)-21H,23H-tetrabenzo[b,g,l,q]porphyrin-22,23,72,73,122,123,172,173-octa(carboxylic acid methyl) ester
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