Chem
J-GLOBAL ID：200907039514010530   Nikkaji number：J2.121.083H

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 octasodium salt

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ナトリウム
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： C52H30N4Na8O16
Molecular formula furigana： C52-H30-N4-NA8-O16
Molecular weight： 1150.742
InChI： InChI=1S/C52H38N4O16.8Na/c57-45(58)37-13-1-2-14(38(37)46(59)60)30-22-10-24-32-16-5-6-18(42(50(67)68)40(16)48(63)64)34(32)26(55-24)12-28-36-20-8-7-19(43(51(69)70)44(20)52(71)72)35(36)27(56-28)11-25-33-17-4-3-15(39(47(61)62)41(17)49(65)66)31(33)23(54-25)9-21(53-22)29(13)30;;;;;;;;/h9-20,53,56H,1-8H2,(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H,67,68)(H,69,70)(H,71,72);;;;;;;;/q;8*+1/p-8/b21-9-,22-10-,23-9-,24-10-,25-11-,26-12-,27-11-,28-12-;;;;;;;;
InChI key： KANIJZDZACSGRS-DWDHFQLESA-F
SMILES： [Na]OC(=O)C1=C(C2CCC1C1=C2C2=N/C/1=C\c1[nH]c(/C=C/3\N=C(/C=c/4\[nH]/c(=C\2)/c2c4C4CCC2C(=C4C(=O)O[Na])C(=O)O[Na])C2=C3C3CCC2C(=C3C(=O)O[Na])C(=O)O[Na])c2c1C1CCC2C(=C1C(=O)O[Na])C(=O)O[Na])C(=O)O[Na]
Systematic name  (3)：
  • 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ナトリウム
  • 8,9,17,18,26,27,35,36-八ナトリウム 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-octasodium 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 (1)：
  • 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 octasodium salt
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