Chem
J-GLOBAL ID:200907042247528304   Nikkaji number:J2.765.945D

4-[[9,10-Bis(1,3-dithiol-2-ylidene)-6-[[2,5-bis(hexyloxy)-4-[[9,10-bis(1,3-dithiol-2-ylidene)-9,10-dihydroanthracene-2-yl]ethynyl]phenyl]ethynyl]-9,10-dihydroanthracene-2-yl]ethynyl]benzaldehyde

4-[[9,10-ビス(1,3-ジチオール-2-イリデン)-6-[[2,5-ビス(ヘキシルオキシ)-4-[[9,10-ビス(1,3-ジチオール-2-イリデン)-9,10-ジヒドロアントラセン-2-イル]エチニル]フェニル]エチニル]-9,10-ジヒドロアントラセン-2-イル]エチニル]ベンズアルデヒド
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: C71H54O3S8
Molecular formula furigana: C71-H54-O3-S8
Molecular weight: 1211.690
InChI: InChI=1S/C71H54O3S8/c1-3-5-7-11-31-73-62-45-53(27-22-50-25-30-58-61(43-50)67(71-81-39-40-82-71)57-29-23-48(18-15-47-16-19-51(46-72)20-17-47)41-60(57)66(58)70-79-37-38-80-70)63(74-32-12-8-6-4-2)44-52(62)26-21-49-24-28-56-59(42-49)65(69-77-35-36-78-69)55-14-10-9-13-54(55)64(56)68-75-33-34-76-68/h9-10,13-14,16-17,19-20,23-25,28-30,33-46H,3-8,11-12,31-32H2,1-2H3
InChI key: FEQAOGXARBUFCI-UHFFFAOYSA-N
SMILES: CCCCCCOc1cc(C#Cc2ccc3c(c2)/c(=C/2\SC=CS2)/c2ccc(cc2/c/3=C/2\SC=CS2)C#Cc2ccc(C=O)cc2)c(OCCCCCC)cc1C#Cc1ccc2c(c1)/c(=C/1\SC=CS1)/c1ccccc1/c/2=C/1\SC=CS1
Systematic name  (3):
  • 4-[[9,10-ビス(1,3-ジチオール-2-イリデン)-6-[[2,5-ビス(ヘキシルオキシ)-4-[[9,10-ビス(1,3-ジチオール-2-イリデン)-9,10-ジヒドロアントラセン-2-イル]エチニル]フェニル]エチニル]-9,10-ジヒドロアントラセン-2-イル]エチニル]ベンズアルデヒド
  • 4-(2-{6-[2-(4-{2-[9,10-ビス(2H-1,3-ジチオール-2-イリデン)-9,10-ジヒドロアントラセン-2-イル]エチニル}-2,5-ビス(ヘキシルオキシ)フェニル)エチニル]-9,10-ビス(2H-1,3-ジチオール-2-イリデン)-9,10-ジヒドロアントラセン-2-イル}エチニル)ベンズアルデヒド
  • 4-(2-{6-[2-(4-{2-[9,10-bis(2H-1,3-dithiol-2-ylidene)-9,10-dihydroanthracen-2-yl]ethynyl}-2,5-bis(hexyloxy)phenyl)ethynyl]-9,10-bis(2H-1,3-dithiol-2-ylidene)-9,10-dihydroanthracen-2-yl}ethynyl)benzaldehyde
Other name (1):
  • 4-[[9,10-Bis(1,3-dithiol-2-ylidene)-6-[[2,5-bis(hexyloxy)-4-[[9,10-bis(1,3-dithiol-2-ylidene)-9,10-dihydroanthracene-2-yl]ethynyl]phenyl]ethynyl]-9,10-dihydroanthracene-2-yl]ethynyl]benzaldehyde
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