Chem
J-GLOBAL ID：200907002936475917   Nikkaji number：J2.121.085D

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

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： C44H14N4Na8O16
Molecular formula furigana： C44-H14-N4-NA8-O16
Molecular weight： 1038.526
InChI： InChI=1S/C44H22N4O16.8Na/c49-37(50)21-1-13-14(2-22(21)38(51)52)30-10-32-17-5-25(41(57)58)26(42(59)60)6-18(17)34(47-32)12-36-20-8-28(44(63)64)27(43(61)62)7-19(20)35(48-36)11-33-16-4-24(40(55)56)23(39(53)54)3-15(16)31(46-33)9-29(13)45-30;;;;;;;;/h1-12,45,48H,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64);;;;;;;;/q;8*+1/p-8/b29-9-,30-10-,31-9-,32-10-,33-11-,34-12-,35-11-,36-12-;;;;;;;;
InChI key： TUBUDZNEWDECAU-QLRDZBJSSA-F
SMILES： [Na]OC(=O)c1cc2C3=N/C(=C\c4[nH]c(/C=C/5\N=C(/C=c/6\[nH]/c(=C\3)/c3c6cc(C(=O)O[Na])c(c3)C(=O)O[Na])c3c5cc(C(=O)O[Na])c(c3)C(=O)O[Na])c3c4cc(C(=O)O[Na])c(c3)C(=O)O[Na])/c2cc1C(=O)O[Na]
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ナトリウム
  • 6,7,15,16,24,25,33,34-八ナトリウム 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-octasodium 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 octasodium salt
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