Chem
J-GLOBAL ID：200907020297035380   Nikkaji number：J2.775.257H

2-Cyano-3-[5′-[4-[bis[4-(dodecyloxy)phenyl]amino]phenyl]-2,2′-bithiophene-5-yl]propenoic acid

2-シアノ-3-[5′-[4-[ビス[4-(ドデシルオキシ)フェニル]アミノ]フェニル]-2,2′-ビチオフェン-5-イル]プロペン酸
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： C54H68N2O4S2
Molecular formula furigana： C54-H68-N2-O4-S2
Molecular weight： 873.270
InChI： InChI=1S/C54H68N2O4S2/c1-3-5-7-9-11-13-15-17-19-21-39-59-48-31-27-46(28-32-48)56(47-29-33-49(34-30-47)60-40-22-20-18-16-14-12-10-8-6-4-2)45-25-23-43(24-26-45)51-37-38-53(62-51)52-36-35-50(61-52)41-44(42-55)54(57)58/h23-38,41H,3-22,39-40H2,1-2H3,(H,57,58)
InChI key： NDAHKSGYLCFFFG-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCOc1ccc(cc1)N(c1ccc(OCCCCCCCCCCCC)cc1)c1ccc(cc1)c1ccc(s1)c1ccc(C=C(C#N)C(=O)O)s1
Systematic name  (4)：
  • 2-[[5′-[4-[ビス[4-(ドデシルオキシ)フェニル]アミノ]フェニル]-2,2′-ビチオフェン-5-イル]メチレン]-2-シアノ酢酸
  • 2-シアノ-3-[5′-[4-[ビス[4-(ドデシルオキシ)フェニル]アミノ]フェニル]-2,2′-ビチオフェン-5-イル]プロペン酸
  • 3-[5'-(4-{ビス[4-(ドデシルオキシ)フェニル]アミノ}フェニル)-[2,2'-ビチオフェン]-5-イル]-2-シアノプロパ-2-エン酸
  • 3-[5'-(4-{bis[4-(dodecyloxy)phenyl]amino}phenyl)-[2,2'-bithiophen]-5-yl]-2-cyanoprop-2-enoic acid
Other name (2)：
  • 2-[[5′-[4-[Bis[4-(dodecyloxy)phenyl]amino]phenyl]-2,2′-bithiophene-5-yl]methylene]-2-cyanoacetic acid
  • 2-Cyano-3-[5′-[4-[bis[4-(dodecyloxy)phenyl]amino]phenyl]-2,2′-bithiophene-5-yl]propenoic acid
Thsaurus map：
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