Chem
J-GLOBAL ID:200907001004058824
Nikkaji number:J2.158.560B
4′-(Heptyloxy)biphenyl-4-carboxylic acid 11-[4-(phenylethynyl)phenoxy]undecyl ester
4′-(ヘプチルオキシ)ビフェニル-4-カルボン酸11-[4-(フェニルエチニル)フェノキシ]ウンデシル
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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:
C45 H54 O4
Molecular formula furigana:
C45-H54-O4
Molecular weight:
658.923
InChI:
InChI=1S/C45H54O4/c1-2-3-4-10-16-35-48-44-33-29-41(30-34-44)40-25-27-42(28-26-40)45(46)49-37-18-12-9-7-5-6-8-11-17-36-47-43-31-23-39(24-32-43)22-21-38-19-14-13-15-20-38/h13-15,19-20,23-34H,2-12,16-18,35-37H2,1H3
InChI key:
QYPJIJMQSAHZCL-UHFFFAOYSA-N
SMILES:
CCCCCCCOc1ccc(cc1)c1ccc(cc1)C(=O)OCCCCCCCCCCCOc1ccc(cc1)C#Cc1ccccc1
Systematic name (3):
4′-(ヘプチルオキシ)ビフェニル-4-カルボン酸11-[4-(フェニルエチニル)フェノキシ]ウンデシル
11-[4-(2-フェニルエチニル)フェノキシ]ウンデシル 4'-(ヘプチルオキシ)-[1,1'-ビフェニル]-4-カルボキシラート
11-[4-(2-phenylethynyl)phenoxy]undecyl 4'-(heptyloxy)-[1,1'-biphenyl]-4-carboxylate
Other name (1):
4′-(Heptyloxy)biphenyl-4-carboxylic acid 11-[4-(phenylethynyl)phenoxy]undecyl ester
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