Chem
J-GLOBAL ID:200907080286130490
Nikkaji number:J2.235.380B
4-[(E)-2-[2,5-Bis(hexyloxy)-4-[(E)-2-[4-[(E)-2-[9,10-bis(1,3-dithiol-2-ylidene)-9,10-dihydroanthracene-2-yl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzaldehyde
4-[(E)-2-[2,5-ビス(ヘキシルオキシ)-4-[(E)-2-[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]フェニル]エテニル]ベンズアルデヒド
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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:
C57 H54 O3 S4
Molecular formula furigana:
C57-H54-O3-S4
Molecular weight:
915.300
InChI:
InChI=1S/C57H54O3S4/c1-3-5-7-11-31-59-52-39-47(29-26-43-20-23-45(40-58)24-21-43)53(60-32-12-8-6-4-2)38-46(52)28-25-42-17-15-41(16-18-42)19-22-44-27-30-50-51(37-44)55(57-63-35-36-64-57)49-14-10-9-13-48(49)54(50)56-61-33-34-62-56/h9-10,13-30,33-40H,3-8,11-12,31-32H2,1-2H3/b22-19+,28-25+,29-26+
InChI key:
IVLFQVSBYCBVFV-PMRHGMTLSA-N
SMILES:
CCCCCCOc1cc(/C=C/c2ccc(/C=C/c3ccc4c(c3)/c(=C/3\SC=CS3)/c3ccccc3/c/4=C/3\SC=CS3)cc2)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-[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]フェニル]エテニル]ベンズアルデヒド
4-[(1E)-2-{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]フェニル}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-{4-[(1E)-2-[9,10-bis(2H-1,3-dithiol-2-ylidene)-9,10-dihydroanthracen-2-yl]ethenyl]phenyl}ethenyl]-2,5-bis(hexyloxy)phenyl}ethenyl]benzaldehyde
Other name (1):
4-[(E)-2-[2,5-Bis(hexyloxy)-4-[(E)-2-[4-[(E)-2-[9,10-bis(1,3-dithiol-2-ylidene)-9,10-dihydroanthracene-2-yl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzaldehyde
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