Chem
J-GLOBAL ID：200907028396172269
Nikkaji number：J1.959.811J
21,24,71,74,121,124,171,174-Octaethyl-22,23:72,73:122,123:172,173-tetrakis(o-xylylenebisthio)phthalocyanine
21,24,71,74,121,124,171,174-オクタエチル-22,23:72,73:122,123:172,173-テトラキス(o-キシリレンビスチオ)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： C80H74N8S8
Molecular formula furigana： C80-H74-N8-S8
Molecular weight： 1404.010
InChI：
InChI=1S/C80H74N8S8/c1-9-49-57-58(50(10-2)66-65(49)89-33-41-25-17-18-26-42(41)34-90-66)74-81-73(57)85-75-59-51(11-3)67-68(92-36-44-28-20-19-27-43(44)35-91-67)52(12-4)60(59)77(82-75)87-79-63-55(15-7)71-72(96-40-48-32-24-23-31-47(48)39-95-71)56(16-8)64(63)80(84-79)88-78-62-54(14-6)70-69(53(13-5)61(62)76(83-78)86-74)93-37-45-29-21-22-30-46(45)38-94-70/h17-32H,9-16,33-40H2,1-8H3,(H2,81,82,83,84,85,86,87,88)
InChI key：
QSVGRINAIVMLFU-UHFFFAOYSA-N
SMILES：
CCc1c2SCc3ccccc3CSc2c(CC)c2/C/3=N/c4[nH]c(/N=C/5\N=C(/N=c/6\[nH]/c(=N\C(=N3)c12)/c1c6c(CC)c2SCc3ccccc3CSc2c1CC)c1c5c(CC)c2SCc3ccccc3CSc2c1CC)c1c4c(CC)c2SCc3ccccc3CSc2c1CC
Systematic name (9)：
- 172,173-[1,2-フェニレンビス(メチレンチオ)][122,123-[1,2-フェニレンビス(メチレンチオ)][72,73-[1,2-フェニレンビス(メチレンチオ)][21,24,71,74,121,124,171,174-オクタエチル-22,23-[1,2-フェニレンビス(メチレンチオ)]フタロシアニン]]]
- 21,24,71,74,121,124,171,174-オクタエチル-22,23-[1,2-フェニレンビス(メチレンチオ)]-72,73-[1,2-フェニレンビス(メチレンチオ)]-122,123-[1,2-フェニレンビス(メチレンチオ)]-172,173-[1,2-フェニレンビス(メチレンチオ)]-5,10,15,20-テトラアザ-21H,23H-テトラベンゾ[b,g,l,q]ポルフィリン
- 21,24,71,74,121,124,171,174-オクタエチル-22,23:72,73:122,123:172,173-テトラキス(o-キシリレンビスチオ)フタロシアニン
- 21,24,71,74,121,124,171,174-オクタエチル-22,23-[o-フェニレンビス(メチレンチオ)]-72,73-[o-フェニレンビス(メチレンチオ)]-122,123-[o-フェニレンビス(メチレンチオ)]-172,173-[o-フェニレンビス(メチレンチオ)]-5,10,15,20-テトラアザ-21H,23H-テトラベンゾ[b,g,l,q]ポルフィリン
- 21,24,71,74,121,124,171,174-オクタエチル-22,23:72,73:122,123:172,173-テトラ[1,2-フェニレンビス(メチレンチオ)]フタロシアニン
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- 172,173-[1,2-Phenylenebis(methylenethio)][122,123-[1,2-phenylenebis(methylenethio)][72,73-[1,2-phenylenebis(methylenethio)][21,24,71,74,121,124,171,174-octaethyl-22,23-[1,2-phenylenebis(methylenethio)]phthalocyanine]]]
- 21,24,71,74,121,124,171,174-Octaethyl-22,23-[1,2-phenylenebis(methylenethio)]-72,73-[1,2-phenylenebis(methylenethio)]-122,123-[1,2-phenylenebis(methylenethio)]-172,173-[1,2-phenylenebis(methylenethio)]-5,10,15,20-tetraaza-21H,23H-tetrabenzo[b,g,l,q]porphyrin
- 21,24,71,74,121,124,171,174-Octaethyl-22,23:72,73:122,123:172,173-tetrakis(o-xylylenebisthio)phthalocyanine
- 21,24,71,74,121,124,171,174-Octaethyl-22,23-[o-phenylenebis(methylenethio)]-72,73-[o-phenylenebis(methylenethio)]-122,123-[o-phenylenebis(methylenethio)]-172,173-[o-phenylenebis(methylenethio)]-5,10,15,20-tetraaza-21H,23H-tetrabenzo[b,g,l,q]porphyrin
- 21,24,71,74,121,124,171,174-Octaethyl-22,23:72,73:122,123:172,173-tetra[1,2-phenylenebis(methylenethio)]phthalocyanine
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