Chem
J-GLOBAL ID：200907060637199270   Nikkaji number：J787.546K

22,72,122,172-Tetrakis(p-tolylsulfinyl)phthalocyanine

22,72,122,172-テトラキス(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： C60H42N8O4S4
Molecular formula furigana： C60-H42-N8-O4-S4
Molecular weight： 1067.290
InChI： InChI=1S/C60H42N8O4S4/c1-33-5-13-37(14-6-33)73(69)41-21-25-45-49(29-41)57-61-53(45)66-58-51-31-43(75(71)39-17-9-35(3)10-18-39)23-27-47(51)55(63-58)68-60-52-32-44(76(72)40-19-11-36(4)12-20-40)24-28-48(52)56(64-60)67-59-50-30-42(22-26-46(50)54(62-59)65-57)74(70)38-15-7-34(2)8-16-38/h5-32H,1-4H3,(H2,61,62,63,64,65,66,67,68)
InChI key： OPSAPGUPZOMYEA-UHFFFAOYSA-N
SMILES： Cc1ccc(cc1)S(=O)c1ccc2/C/3=N/c4[nH]c(/N=C/5\N=C(/N=c/6\[nH]/c(=N\C(=N3)c2c1)/c1c6cc(cc1)S(=O)c1ccc(C)cc1)c1c5cc(cc1)S(=O)c1ccc(C)cc1)c1c4cc(cc1)S(=O)c1ccc(C)cc1
Systematic name  (3)：
  • 22,72,122,172-テトラキス(p-トリルスルフィニル)フタロシアニン
  • 6,15,24,33-テトラキス(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
  • 6,15,24,33-tetrakis(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)：
  • 22,72,122,172-Tetrakis(p-tolylsulfinyl)phthalocyanine
Thsaurus map：
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