Chem
J-GLOBAL ID：200907018759377300   Nikkaji number：J1.273.507C

3-Methyl-1,4-dioxonaphthalene-2-hexanoic acid

3-メチル-1,4-ジオキソナフタレン-2-ヘキサン酸
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： C17H18O4
Molecular formula furigana： C17-H18-O4
Molecular weight： 286.327
InChI： InChI=1S/C17H18O4/c1-11-12(7-3-2-4-10-15(18)19)17(21)14-9-6-5-8-13(14)16(11)20/h5-6,8-9H,2-4,7,10H2,1H3,(H,18,19)
InChI key： ICGRXHWXPCXIKM-UHFFFAOYSA-N
SMILES： CC1=C(CCCCCC(=O)O)C(=O)c2ccccc2C1=O
Systematic name  (4)：
  • 1,4-ジオキソ-3-メチル-1,4-ジヒドロナフタレン-2-ヘキサン酸
  • 3-メチル-1,4-ジオキソナフタレン-2-ヘキサン酸
  • 6-(3-メチル-1,4-ジオキソ-1,4-ジヒドロナフタレン-2-イル)ヘキサン酸
  • 6-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)hexanoic acid
Other name (2)：
  • 1,4-Dioxo-3-methyl-1,4-dihydronaphthalene-2-hexanoic acid
  • 3-Methyl-1,4-dioxonaphthalene-2-hexanoic acid
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