Chem
J-GLOBAL ID：201207084739576231
Nikkaji number：J3.063.736D
22,23,72,73,122,123,172,173-Octakis(isopropylthio)phthalocyanine
22,23,72,73,122,123,172,173-オクタキス(イソプロピルチオ)フタロシアニン
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
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
Molecular formula： C56H66N8S8
Molecular formula furigana： C56-H66-N8-S8
Molecular weight： 1107.680
InChI：
InChI=1S/C56H66N8S8/c1-25(2)65-41-17-33-34(18-42(41)66-26(3)4)50-57-49(33)61-51-35-19-43(67-27(5)6)44(68-28(7)8)20-36(35)53(58-51)63-55-39-23-47(71-31(13)14)48(72-32(15)16)24-40(39)56(60-55)64-54-38-22-46(70-30(11)12)45(69-29(9)10)21-37(38)52(59-54)62-50/h17-32H,1-16H3,(H2,57,58,59,60,61,62,63,64)
InChI key：
KZKKFQZEMGPKAA-UHFFFAOYSA-N
SMILES：
CC(C)Sc1cc2/C/3=N/c4[nH]c(/N=C/5\N=C(/N=c/6\[nH]/c(=N\C(=N3)c2cc1SC(C)C)/c1c6cc(SC(C)C)c(SC(C)C)c1)c1c5cc(SC(C)C)c(SC(C)C)c1)c1c4cc(SC(C)C)c(SC(C)C)c1
Systematic name (3)：
- 22,23,72,73,122,123,172,173-オクタキス(イソプロピルチオ)フタロシアニン
- 6,7,15,16,24,25,33,34-オクタキス(プロパン-2-イルスルファニル)-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
- 6,7,15,16,24,25,33,34-octakis(propan-2-ylsulfanyl)-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
- 22,23,72,73,122,123,172,173-Octakis(isopropylthio)phthalocyanine
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