Chem
J-GLOBAL ID:200907004389290977
Nikkaji number:J761.094G
(S)-1-(3-Butenyl)-2-methoxy-4-oxo-2,5-cyclohexadiene-1-carboxylic acid methyl ester
(S)-1-(3-ブテニル)-2-メトキシ-4-オキソ-2,5-シクロヘキサジエン-1-カルボン酸メチル
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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:
C13 H16 O4
Molecular formula furigana:
C13-H16-O4
Molecular weight:
236.267
InChI:
InChI=1S/C13H16O4/c1-4-5-7-13(12(15)17-3)8-6-10(14)9-11(13)16-2/h4,6,8-9H,1,5,7H2,2-3H3/t13-/m0/s1
InChI key:
XUBZBPCJJARBOH-ZDUSSCGKSA-N
SMILES:
COC(=O)[C@@]1(CCC=C)C=CC(=O)C=C1OC
Systematic name (3):
(S)-1-(3-ブテニル)-2-メトキシ-4-オキソ-2,5-シクロヘキサジエン-1-カルボン酸メチル
メチル (1S)-1-(ブタ-3-エン-1-イル)-2-メトキシ-4-オキソシクロヘキサ-2,5-ジエン-1-カルボキシラート
methyl (1S)-1-(but-3-en-1-yl)-2-methoxy-4-oxocyclohexa-2,5-diene-1-carboxylate
Other name (1):
(S)-1-(3-Butenyl)-2-methoxy-4-oxo-2,5-cyclohexadiene-1-carboxylic acid methyl ester
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