Chem
J-GLOBAL ID：201207088648116128   Nikkaji number：J3.017.383J

72,73,122,123,172,173-Hexakis(octyloxy)-21,24-dioctyl-22,23-[[4,5-bis(methylthio)-1,3-dithiol-2-ylidene]methylenebisthio]phthalocyanine

72,73,122,123,172,173-ヘキサキス(オクチルオキシ)-21,24-ジオクチル-22,23-[[4,5-ビス(メチルチオ)-1,3-ジチオール-2-イリデン]メチレンビスチオ]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： C102H150N8O6S6
Molecular formula furigana： C102-H150-N8-O6-S6
Molecular weight： 1776.730
InChI： InChI=1S/C102H150N8O6S6/c1-11-19-27-35-43-51-59-73-87-88(74(60-52-44-36-28-20-12-2)90-89(73)119-101(120-90)102-121-99(117-9)100(118-10)122-102)98-109-96-80-72-86(116-66-58-50-42-34-26-18-8)84(114-64-56-48-40-32-24-16-6)70-78(80)94(107-96)105-92-76-68-82(112-62-54-46-38-30-22-14-4)81(111-61-53-45-37-29-21-13-3)67-75(76)91(103-92)104-93-77-69-83(113-63-55-47-39-31-23-15-5)85(115-65-57-49-41-33-25-17-7)71-79(77)95(106-93)108-97(87)110-98/h67-72H,11-66H2,1-10H3,(H2,103,104,105,106,107,108,109,110)
InChI key： JLKXJWRWKLHZSL-UHFFFAOYSA-N
SMILES： CCCCCCCCOc1cc2/C/3=N/c4[nH]c(/N=C/5\N=C(/N=c/6\[nH]/c(=N\C(=N3)c2cc1OCCCCCCCC)/c1c6c(CCCCCCCC)c2s/c(=C\3/SC(=C(SC)S3)SC)/sc2c1CCCCCCCC)c1c5cc(OCCCCCCCC)c(OCCCCCCCC)c1)c1c4cc(OCCCCCCCC)c(OCCCCCCCC)c1
Systematic name  (4)：
  • 72,73,122,123,172,173-ヘキサキス(オクチルオキシ)-21,24-ジオクチル-22,23-[[4,5-ビス(メチルチオ)-1,3-ジチオール-2-イリデン]メチレンビスチオ]フタロシアニン
  • 1,1-[[21,24-ジオクチル-72,73,122,123,172,173-ヘキサ(オクチルオキシ)フタロシアニン-22,23-ジイル]ビスチオ]-2,2-[[1,2-ビス(メチルチオ)ビニレン]ビスチオ]エテン
  • 35-[4,5-ビス(メチルスルファニル)-2H-1,3-ジチオール-2-イリデン]-32,38-ジオクチル-6,7,15,16,24,25-ヘキサキス(オクチルオキシ)-34,36-ジチア-2,11,20,29,40,41,42,43-オクタアザデカシクロ[28.9.1.13,10.112,19.121,28.04,9.013,18.022,27.031,39.033,37]トリテトラコンタ-1,3(43),4,6,8,10,12,14,16,18,20,22,24,26,28(41),29,31,33(37),38-ノナデカエン
  • 35-[4,5-bis(methylsulfanyl)-2H-1,3-dithiol-2-ylidene]-32,38-dioctyl-6,7,15,16,24,25-hexakis(octyloxy)-34,36-dithia-2,11,20,29,40,41,42,43-octaazadecacyclo[28.9.1.13,10.112,19.121,28.04,9.013,18.022,27.031,39.033,37]tritetraconta-1,3(43),4,6,8,10,12,14,16,18,20,22,24,26,28(41),29,31,33(37),38-nonadecaene
Other name (2)：
  • 72,73,122,123,172,173-Hexakis(octyloxy)-21,24-dioctyl-22,23-[[4,5-bis(methylthio)-1,3-dithiol-2-ylidene]methylenebisthio]phthalocyanine
  • 1,1-[[21,24-Dioctyl-72,73,122,123,172,173-hexa(octyloxy)phthalocyanine-22,23-diyl]bisthio]-2,2-[[1,2-bis(methylthio)vinylene]bisthio]ethene
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM