Chem
J-GLOBAL ID：200907078446688641   Nikkaji number：J1.459.098F

21,24-Ethylene-71,74-ethylene-121,124-ethylene-171,174-ethylene-21,24,71,74,121,124,171,174-octahydro-21H,23H-tetrabenzo[b,g,l,q]porphyrin-22,23,72,73,122,123,172,173-octacarboxylic acid octamethyl ester

21,24-エチレン-71,74-エチレン-121,124-エチレン-171,174-エチレン-21,24,71,74,121,124,171,174-オクタヒドロ-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： C60H54N4O16
Molecular formula furigana： C60-H54-N4-O16
Molecular weight： 1087.104
InChI： InChI=1S/C60H54N4O16/c1-73-53(65)45-21-9-10-22(46(45)54(66)74-2)38-30-18-32-40-24-13-14-26(50(58(70)78-6)48(24)56(68)76-4)42(40)34(63-32)20-36-44-28-16-15-27(51(59(71)79-7)52(28)60(72)80-8)43(44)35(64-36)19-33-41-25-12-11-23(47(55(67)75-3)49(25)57(69)77-5)39(41)31(62-33)17-29(61-30)37(21)38/h17-28,61,64H,9-16H2,1-8H3/b29-17-,30-18-,31-17?,32-18?,33-19-,34-20-,35-19?,36-20?
InChI key： MXIDLUBTNSMXAS-UKMKPXHGSA-N
SMILES： COC(=O)C1=C(C2CCC1C1=C2C2=NC1=Cc1[nH]c(C=C3N=C(C=c4[nH]c(=C2)c2c4C4CCC2C(=C4C(=O)OC)C(=O)OC)C2=C3C3CCC2C(=C3C(=O)OC)C(=O)OC)c2c1C1CCC2C(=C1C(=O)OC)C(=O)OC)C(=O)OC
Systematic name  (4)：
  • 21,24-エチレン-71,74-エチレン-121,124-エチレン-171,174-エチレン-21,24,71,74,121,124,171,174-オクタヒドロ-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
  • 171,174-エチレン[121,124-エチレン[71,74-エチレン(21,24-エチレン-21,24,71,74,121,124,171,174-オクタヒドロ-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)]]
  • 8,9,17,18,26,27,35,36-オクタメチル 39,40,43,46-テトラアザトリデカシクロ[32.2.2.27,10.216,19.225,28.13,32.15,12.114,21.123,30.02,33.06,11.015,20.024,29]オクタテトラコンタ-2,4,6(11),8,12(46),13,15(20),17,21,23(40),24(29),26,30,32,35-ペンタデカエン-8,9,17,18,26,27,35,36-オクタカルボキシラート
  • 8,9,17,18,26,27,35,36-octamethyl 39,40,43,46-tetraazatridecacyclo[32.2.2.27,10.216,19.225,28.13,32.15,12.114,21.123,30.02,33.06,11.015,20.024,29]octatetraconta-2,4,6(11),8,12(46),13,15(20),17,21,23(40),24(29),26,30,32,35-pentadecaen-8,9,17,18,26,27,35,36-octacarboxylate
Other name (2)：
  • 171,174-Ethylene[121,124-ethylene[71,74-ethylene(21,24-ethylene-21,24,71,74,121,124,171,174-octahydro-21H,23H-tetrabenzo[b,g,l,q]porphyrin-22,23,72,73,122,123,172,173-octacarboxylic acid octamethyl)]] ester
  • 21,24-Ethylene-71,74-ethylene-121,124-ethylene-171,174-ethylene-21,24,71,74,121,124,171,174-octahydro-21H,23H-tetrabenzo[b,g,l,q]porphyrin-22,23,72,73,122,123,172,173-octacarboxylic acid octamethyl ester
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