Chem
J-GLOBAL ID：201907021383549951
Nikkaji number：J3.739.177H
1-(3-クロロ-2,6-ジヒドロキシ-4-メトキシフェニル)-1-ヘプタノン
1-(3-クロロ-2,6-ジヒドロキシ-4-メトキシフェニル)-1-ヘプタノン
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： C14H19ClO4
Molecular formula furigana： C14-H19-CL-O4
Molecular weight： 286.750
InChI：
InChI=1S/C14H19ClO4/c1-3-4-5-6-7-9(16)12-10(17)8-11(19-2)13(15)14(12)18/h8,17-18H,3-7H2,1-2H3
InChI key：
CYGOUVKJRTXMCK-UHFFFAOYSA-N
SMILES：
C(=O)(CCCCCC)c1c(c(c(cc1O)OC)Cl)O
Systematic name (3)：
- 1-(3-クロロ-2,6-ジヒドロキシ-4-メトキシフェニル)-1-ヘプタノン
- 1-(3-クロロ-2,6-ジヒドロキシ-4-メトキシフェニル)ヘプタン-1-オン
- 1-(3-chloro-2,6-dihydroxy-4-methoxyphenyl)heptan-1-one
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