Chem
J-GLOBAL ID：200907024952405450   Nikkaji number：J1.337.816I

4-(4-Hexyloxyphenylazo)benzoic acid (S)-1-methylheptyl ester

4-(4-ヘキシルオキシフェニルアゾ)安息香酸(S)-1-メチルヘプチル
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： C27H38N2O3
Molecular formula furigana： C27-H38-N2-O3
Molecular weight： 438.612
InChI： InChI=1S/C27H38N2O3/c1-4-6-8-10-12-22(3)32-27(30)23-13-15-24(16-14-23)28-29-25-17-19-26(20-18-25)31-21-11-9-7-5-2/h13-20,22H,4-12,21H2,1-3H3/t22-/m0/s1
InChI key： GCBGCLNRXPWOEL-QFIPXVFZSA-N
SMILES： CCCCCCOc1ccc(cc1)N=Nc1ccc(cc1)C(=O)O[C@@H](C)CCCCCC
Systematic name  (4)：
  • 4′-(ヘキシルオキシ)アゾベンゼン-4-カルボン酸(S)-1-メチルヘプチル
  • 4-(4-ヘキシルオキシフェニルアゾ)安息香酸(S)-1-メチルヘプチル
  • (2S)-オクタン-2-イル 4-{2-[4-(ヘキシルオキシ)フェニル]ジアゼン-1-イル}ベンゾアート
  • (2S)-octan-2-yl 4-{2-[4-(hexyloxy)phenyl]diazen-1-yl}benzoate
Other name (2)：
  • 4′-(Hexyloxy)azobenzene-4-carboxylic acid (S)-1-methylheptyl ester
  • 4-(4-Hexyloxyphenylazo)benzoic acid (S)-1-methylheptyl ester
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