Chem
J-GLOBAL ID：201607019627519395   Nikkaji number：J3.476.435B

3-[4,8-Bis(3,7-dimethyloctyl)-6-[2-[4-[bis[4-(2-cyclohexylethoxy)phenyl]amino]phenyl]ethenyl]benzo[1,2-b:4,5-b′]dithiophene-2-yl]-2-cyanoacrylic acid

3-[4,8-ビス(3,7-ジメチルオクチル)-6-[2-[4-[ビス[4-(2-シクロヘキシルエトキシ)フェニル]アミノ]フェニル]エテニル]ベンゾ[1,2-b:4,5-b′]ジチオフェン-2-イル]-2-シアノアクリル酸
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： C70H90N2O4S2
Molecular formula furigana： C70-H90-N2-O4-S2
Molecular weight： 1087.620
InChI： InChI=1S/C70H90N2O4S2/c1-49(2)15-13-17-51(5)23-39-64-66-46-62(77-68(66)65(40-24-52(6)18-14-16-50(3)4)67-47-63(78-69(64)67)45-56(48-71)70(73)74)38-27-55-25-28-57(29-26-55)72(58-30-34-60(35-31-58)75-43-41-53-19-9-7-10-20-53)59-32-36-61(37-33-59)76-44-42-54-21-11-8-12-22-54/h25-38,45-47,49-54H,7-24,39-44H2,1-6H3,(H,73,74)
InChI key： DTHOIWPYYWQFCK-UHFFFAOYSA-N
SMILES： CC(C)CCCC(C)CCc1c2cc(C=C(C#N)C(=O)O)sc2c(CCC(C)CCCC(C)C)c2cc(C=Cc3ccc(cc3)N(c3ccc(OCCC4CCCCC4)cc3)c3ccc(OCCC4CCCCC4)cc3)sc12
Systematic name  (3)：
  • 3-[4,8-ビス(3,7-ジメチルオクチル)-6-[2-[4-[ビス[4-(2-シクロヘキシルエトキシ)フェニル]アミノ]フェニル]エテニル]ベンゾ[1,2-b:4,5-b′]ジチオフェン-2-イル]-2-シアノアクリル酸
  • 3-{11-[2-(4-{ビス[4-(2-シクロヘキシルエトキシ)フェニル]アミノ}フェニル)エテニル]-2,8-ビス(3,7-ジメチルオクチル)-4,10-ジチアトリシクロ[7.3.0.03,7]ドデカ-1(9),2,5,7,11-ペンタエン-5-イル}-2-シアノプロパ-2-エン酸
  • 3-{11-[2-(4-{bis[4-(2-cyclohexylethoxy)phenyl]amino}phenyl)ethenyl]-2,8-bis(3,7-dimethyloctyl)-4,10-dithiatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaen-5-yl}-2-cyanoprop-2-enoic acid
Other name (1)：
  • 3-[4,8-Bis(3,7-dimethyloctyl)-6-[2-[4-[bis[4-(2-cyclohexylethoxy)phenyl]amino]phenyl]ethenyl]benzo[1,2-b:4,5-b′]dithiophene-2-yl]-2-cyanoacrylic acid
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