Chem
J-GLOBAL ID:200907026145186047   Nikkaji number:J2.120.396C

4-[6-[4-(tert-Butyloxycarbonylthio)phenyl]-4,8-bis(4-dodecyloxyphenyl)benzo[1,2-d:4,5-d′]bisoxazole-2-yl]benzaldehyde

4-[6-[4-(tert-ブチルオキシカルボニルチオ)フェニル]-4,8-ビス(4-ドデシルオキシフェニル)ベンゾ[1,2-d:4,5-d′]ビスオキサゾール-2-イル]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: C62H76N2O7S
Molecular formula furigana: C62-H76-N2-O7-S
Molecular weight: 993.360
InChI: InChI=1S/C62H76N2O7S/c1-6-8-10-12-14-16-18-20-22-24-42-67-50-36-30-46(31-37-50)53-55-57(69-59(63-55)48-28-26-45(44-65)27-29-48)54(47-32-38-51(39-33-47)68-43-25-23-21-19-17-15-13-11-9-7-2)56-58(53)70-60(64-56)49-34-40-52(41-35-49)72-61(66)71-62(3,4)5/h26-41,44H,6-25,42-43H2,1-5H3
InChI key: IIWHQZZCIDWXRO-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCOc1ccc(cc1)c1c2nc(oc2c(c2ccc(OCCCCCCCCCCCC)cc2)c2nc(oc12)c1ccc(C=O)cc1)c1ccc(SC(=O)OC(C)(C)C)cc1
Systematic name  (3):
  • 4-[6-[4-(tert-ブチルオキシカルボニルチオ)フェニル]-4,8-ビス(4-ドデシルオキシフェニル)ベンゾ[1,2-d:4,5-d′]ビスオキサゾール-2-イル]ベンズアルデヒド
  • tert-ブチル [(4-{2,8-ビス[4-(ドデシルオキシ)フェニル]-11-(4-ホルミルフェニル)-4,10-ジオキサ-6,12-ジアザトリシクロ[7.3.0.03,7]ドデカ-1(9),2,5,7,11-ペンタエン-5-イル}フェニル)スルファニル]ホルマート
  • tert-butyl [(4-{2,8-bis[4-(dodecyloxy)phenyl]-11-(4-formylphenyl)-4,10-dioxa-6,12-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaen-5-yl}phenyl)sulfanyl]formate
Other name (1):
  • 4-[6-[4-(tert-Butyloxycarbonylthio)phenyl]-4,8-bis(4-dodecyloxyphenyl)benzo[1,2-d:4,5-d′]bisoxazole-2-yl]benzaldehyde
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