Chem
J-GLOBAL ID：201907001069113650
Nikkaji number：J3.735.810J
3-[(1E,3E)-1-(メトキシカルボニル)-5-メチル-1,3-ヘキサジエニル]シクロヘキセン-1-カルボン酸
3-[(1E,3E)-1-(メトキシカルボニル)-5-メチル-1,3-ヘキサジエニル]シクロヘキセン-1-カルボン酸
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： C16H22O4
Molecular formula furigana： C16-H22-O4
Molecular weight： 278.348
InChI：
InChI=1S/C16H22O4/c1-11(2)6-4-9-14(16(19)20-3)12-7-5-8-13(10-12)15(17)18/h4,6,9-12H,5,7-8H2,1-3H3,(H,17,18)/b6-4+,14-9+
InChI key：
UXCXCMOKQJWJTJ-YSADAPTOSA-N
SMILES：
C1(=CC(CCC1)/C(=C\C=C\C(C)C)/C(=O)OC)C(=O)O
Systematic name (3)：
- 3-[(1E,3E)-1-(メトキシカルボニル)-5-メチル-1,3-ヘキサジエニル]シクロヘキセン-1-カルボン酸
- 3-[(2E,4E)-1-メトキシ-6-メチル-1-オキソヘプタ-2,4-ジエン-2-イル]シクロヘキサ-1-エン-1-カルボン酸
- 3-[(2E,4E)-1-methoxy-6-methyl-1-oxohepta-2,4-dien-2-yl]cyclohex-1-ene-1-carboxylic acid
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