Chem
J-GLOBAL ID：200907090443575897   Nikkaji number：J786.160E

22,23-Bis(octyloxy)phthalocyanine

22,23-ビス(オクチルオキシ)フタロシアニン
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： C48H50N8O2
Molecular formula furigana： C48-H50-N8-O2
Molecular weight： 770.982
InChI： InChI=1S/C48H50N8O2/c1-3-5-7-9-11-19-27-57-39-29-37-38(30-40(39)58-28-20-12-10-8-6-4-2)48-55-46-36-26-18-16-24-34(36)44(53-46)51-42-32-22-14-13-21-31(32)41(49-42)50-43-33-23-15-17-25-35(33)45(52-43)54-47(37)56-48/h13-18,21-26,29-30H,3-12,19-20,27-28H2,1-2H3,(H2,49,50,51,52,53,54,55,56)
InChI key： QOIDKPQVJKWKST-UHFFFAOYSA-N
SMILES： CCCCCCCCOc1cc2c3/N=C/4\N=C(/N=c/5\[nH]/c(=N\C6=N/C(=N\c([nH]3)c2cc1OCCCCCCCC)/c1ccccc61)/c1ccccc51)c1ccccc41
Systematic name  (3)：
  • 22,23-ビス(オクチルオキシ)フタロシアニン
  • 6,7-ビス(オクチルオキシ)-2,11,20,29,37,38,39,40-オクタアザノナシクロ[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-bis(octyloxy)-2,11,20,29,37,38,39,40-octaazanonacyclo[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-nonadecaene
Other name (1)：
  • 22,23-Bis(octyloxy)phthalocyanine
Thsaurus map：
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