Chem
J-GLOBAL ID:200907000483675160   Nikkaji number:J1.832.508J

Bis(3,4-dibutoxybenzoic acid)3,4-dibromothiophene-2,5-diylbis[ethyne-1,2-diyl(1,4-phenylene)] ester

ビス(3,4-ジブトキシ安息香酸)3,4-ジブロモチオフェン-2,5-ジイルビス[エチン-1,2-ジイル(1,4-フェニレン)]
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: C50H50Br2O8S
Molecular formula furigana: C50-H50-BR2-O8-S
Molecular weight: 970.810
InChI: InChI=1S/C50H50Br2O8S/c1-5-9-29-55-41-25-19-37(33-43(41)57-31-11-7-3)49(53)59-39-21-13-35(14-22-39)17-27-45-47(51)48(52)46(61-45)28-18-36-15-23-40(24-16-36)60-50(54)38-20-26-42(56-30-10-6-2)44(34-38)58-32-12-8-4/h13-16,19-26,33-34H,5-12,29-32H2,1-4H3
InChI key: RNYRCTUEJZCSEC-UHFFFAOYSA-N
SMILES: CCCCOc1ccc(cc1OCCCC)C(=O)Oc1ccc(cc1)C#Cc1sc(C#Cc2ccc(OC(=O)c3ccc(OCCCC)c(OCCCC)c3)cc2)c(Br)c1Br
Systematic name  (3):
  • ビス(3,4-ジブトキシ安息香酸)3,4-ジブロモチオフェン-2,5-ジイルビス[エチン-1,2-ジイル(1,4-フェニレン)]
  • 4-[2-(3,4-ジブロモ-5-{2-[4-(3,4-ジブトキシベンゾイルオキシ)フェニル]エチニル}チオフェン-2-イル)エチニル]フェニル 3,4-ジブトキシベンゾアート
  • 4-[2-(3,4-dibromo-5-{2-[4-(3,4-dibutoxybenzoyloxy)phenyl]ethynyl}thiophen-2-yl)ethynyl]phenyl 3,4-dibutoxybenzoate
Other name (1):
  • Bis(3,4-dibutoxybenzoic acid)3,4-dibromothiophene-2,5-diylbis[ethyne-1,2-diyl(1,4-phenylene)] ester
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