Chem
J-GLOBAL ID：200907061604069318   Nikkaji number：J2.235.384E

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

4-[(E)-2-[2,5-ビス(ヘキシルオキシ)-4-[(E)-2-[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]エテニル]フェニル]エテニル]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： C49H48O3S4
Molecular formula furigana： C49-H48-O3-S4
Molecular weight： 813.160
InChI： InChI=1S/C49H48O3S4/c1-3-5-7-11-25-51-44-33-39(45(52-26-12-8-6-4-2)32-38(44)22-19-35-15-17-37(34-50)18-16-35)23-20-36-21-24-42-43(31-36)47(49-55-29-30-56-49)41-14-10-9-13-40(41)46(42)48-53-27-28-54-48/h9-10,13-24,27-34H,3-8,11-12,25-26H2,1-2H3/b22-19+,23-20+
InChI key： VBJCIGMQXPFZPX-WDAKLKSISA-N
SMILES： CCCCCCOc1cc(/C=C/c2ccc3c(c2)/c(=C/2\SC=CS2)/c2ccccc2/c/3=C/2\SC=CS2)c(OCCCCCC)cc1/C=C/c1ccc(C=O)cc1
Systematic name  (3)：
  • 4-[(E)-2-[2,5-ビス(ヘキシルオキシ)-4-[(E)-2-[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]エテニル]フェニル]エテニル]ベンズアルデヒド
  • 4-[(1E)-2-{4-[(1E)-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]エテニル]-2,5-ビス(ヘキシルオキシ)フェニル}エテニル]ベンズアルデヒド
  • 4-[(1E)-2-{4-[(1E)-2-[9,10-bis(2H-1,3-dithiol-2-ylidene)-9,10-dihydroanthracen-2-yl]ethenyl]-2,5-bis(hexyloxy)phenyl}ethenyl]benzaldehyde
Other name (1)：
  • 4-[(E)-2-[2,5-Bis(hexyloxy)-4-[(E)-2-[9,10-bis(1,3-dithiol-2-ylidene)-9,10-dihydroanthracene-2-yl]ethenyl]phenyl]ethenyl]benzaldehyde
Thsaurus map：
Thesaurus Map

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