Chem
J-GLOBAL ID：201207001335720760   Nikkaji number：J3.040.729F

BMS-493

4-[2-[5,5-ジメチル-8-(フェニルエチニル)-5,6-ジヒドロナフタレン-2-イル]ビニル]安息香酸
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： C29H24O2
Molecular formula furigana： C29-H24-O2
Molecular weight： 404.509
InChI： InChI=1S/C29H24O2/c1-29(2)19-18-24(14-10-21-6-4-3-5-7-21)26-20-23(13-17-27(26)29)9-8-22-11-15-25(16-12-22)28(30)31/h3-9,11-13,15-18,20H,19H2,1-2H3,(H,30,31)
InChI key： YCADIXLLWMXYKW-UHFFFAOYSA-N
SMILES： CC1(C)CC=C(C#Cc2ccccc2)c2cc(C=Cc3ccc(cc3)C(=O)O)ccc12
Systematic name  (3)：
  • 4-[2-[5,5-ジメチル-8-(フェニルエチニル)-5,6-ジヒドロナフタレン-2-イル]ビニル]安息香酸
  • 4-{2-[5,5-ジメチル-8-(2-フェニルエチニル)-5,6-ジヒドロナフタレン-2-イル]エテニル}安息香酸
  • 4-{2-[5,5-dimethyl-8-(2-phenylethynyl)-5,6-dihydronaphthalen-2-yl]ethenyl}benzoic acid
Other name (2)：
  • 4-[2-[5,5-Dimethyl-8-(phenylethynyl)-5,6-dihydronaphthalene-2-yl]vinyl]benzoic acid
  • BMS-493
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