Chem
J-GLOBAL ID：200907023086085356   Nikkaji number：J2.689.991E

4-[2,5-Bis(octyloxy)-4-(1-propynyl)phenylethynyl]-7-methyl-2,1,3-benzothiadiazole

4-[2,5-ビス(オクチルオキシ)-4-(1-プロピニル)フェニルエチニル]-7-メチル-2,1,3-ベンゾチアジアゾール
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： C34H44N2O2S
Molecular formula furigana： C34-H44-N2-O2-S
Molecular weight： 544.800
InChI： InChI=1S/C34H44N2O2S/c1-5-8-10-12-14-16-23-37-31-26-30(22-21-28-20-19-27(4)33-34(28)36-39-35-33)32(25-29(31)18-7-3)38-24-17-15-13-11-9-6-2/h19-20,25-26H,5-6,8-17,23-24H2,1-4H3
InChI key： HSTROPMSIGGSDG-UHFFFAOYSA-N
SMILES： CCCCCCCCOc1cc(C#Cc2ccc(C)c3nsnc23)c(OCCCCCCCC)cc1C#CC
Systematic name  (3)：
  • 4-[2,5-ビス(オクチルオキシ)-4-(1-プロピニル)フェニルエチニル]-7-メチル-2,1,3-ベンゾチアジアゾール
  • 4-{2-[2,5-ビス(オクチルオキシ)-4-(プロパ-1-イン-1-イル)フェニル]エチニル}-7-メチル-2,1,3-ベンゾチアジアゾール
  • 4-{2-[2,5-bis(octyloxy)-4-(prop-1-yn-1-yl)phenyl]ethynyl}-7-methyl-2,1,3-benzothiadiazole
Other name (1)：
  • 4-[2,5-Bis(octyloxy)-4-(1-propynyl)phenylethynyl]-7-methyl-2,1,3-benzothiadiazole
Thsaurus map：
Thesaurus Map

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