Chem
J-GLOBAL ID：200907085928082372
Nikkaji number：J1.906.653C
(3S)-3α-Isopropenyl-4α-ethynyl-3,4-dihydro-2H-1-benzopyran
(3S)-3α-イソプロペニル-4α-エチニル-3,4-ジヒドロ-2H-1-ベンゾピラン
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： C14H14O
Molecular formula furigana： C14-H14-O
Molecular weight： 198.265
InChI：
InChI=1S/C14H14O/c1-4-11-12-7-5-6-8-14(12)15-9-13(11)10(2)3/h1,5-8,11,13H,2,9H2,3H3/t11-,13-/m1/s1
InChI key：
CZXSKXPYKSYOJX-DGCLKSJQSA-N
SMILES：
CC(=C)[C@H]1COc2ccccc2[C@H]1C#C
Systematic name (3)：
- (3S)-3α-イソプロペニル-4α-エチニル-3,4-ジヒドロ-2H-1-ベンゾピラン
- (3S,4R)-4-エチニル-3-(プロパ-1-エン-2-イル)-3,4-ジヒドロ-2H-1-ベンゾピラン
- (3S,4R)-4-ethynyl-3-(prop-1-en-2-yl)-3,4-dihydro-2H-1-benzopyran
- (3S)-3α-Isopropenyl-4α-ethynyl-3,4-dihydro-2H-1-benzopyran
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