Chem
J-GLOBAL ID：200907087167164178
Nikkaji number：J1.404.447G
3,3′-[(1,8-Anthracenediyl)bisethynylene]bis(benzoic acid methyl) ester
3,3′-[(1,8-アントラセンジイル)ビスエチニレン]ビス(安息香酸メチル)
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
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
Molecular formula： C34H22O4
Molecular formula furigana： C34-H22-O4
Molecular weight： 494.546
InChI：
InChI=1S/C34H22O4/c1-37-33(35)29-13-3-7-23(19-29)15-17-25-9-5-11-27-21-28-12-6-10-26(32(28)22-31(25)27)18-16-24-8-4-14-30(20-24)34(36)38-2/h3-14,19-22H,1-2H3
InChI key：
HBTUHSLLPZTYPO-UHFFFAOYSA-N
SMILES：
COC(=O)c1cccc(c1)C#Cc1cccc2cc3cccc(C#Cc4cccc(c4)C(=O)OC)c3cc12
Systematic name (3)：
- 3,3′-[(1,8-アントラセンジイル)ビスエチニレン]ビス(安息香酸メチル)
- メチル 3-[2-(8-{2-[3-(メトキシカルボニル)フェニル]エチニル}アントラセン-1-イル)エチニル]ベンゾアート
- methyl 3-[2-(8-{2-[3-(methoxycarbonyl)phenyl]ethynyl}anthracen-1-yl)ethynyl]benzoate
- 3,3′-[(1,8-Anthracenediyl)bisethynylene]bis(benzoic acid methyl) ester
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