Chem
J-GLOBAL ID：200907017976979672   Nikkaji number：J786.163J

22-(p-Tolylsulfinyl)phthalocyanine

22-(p-トリルスルフィニル)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： C39H24N8OS
Molecular formula furigana： C39-H24-N8-O-S
Molecular weight： 652.740
InChI： InChI=1S/C39H24N8OS/c1-21-14-16-22(17-15-21)49(48)23-18-19-30-31(20-23)39-46-37-29-13-7-6-12-28(29)35(44-37)42-33-25-9-3-2-8-24(25)32(40-33)41-34-26-10-4-5-11-27(26)36(43-34)45-38(30)47-39/h2-20H,1H3,(H2,40,41,42,43,44,45,46,47)
InChI key： NBSATQIOTIAFJE-UHFFFAOYSA-N
SMILES： Cc1ccc(cc1)S(=O)c1ccc2c3/N=C/4\N=C(/N=c/5\[nH]/c(=N\C6=N/C(=N\c([nH]3)c2c1)/c1ccccc61)/c1ccccc51)c1ccccc41
Systematic name  (3)：
  • 22-(p-トリルスルフィニル)フタロシアニン
  • 6-(4-メチルベンゼンスルフィニル)-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-(4-methylbenzenesulfinyl)-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-(p-Tolylsulfinyl)phthalocyanine
Thsaurus map：
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