Chem
J-GLOBAL ID：200907089690001773
Nikkaji number：J1.299.910K
(5S)-2-[(Z)-2,4-Hexadiyne-1-ylidene]-1,6-dioxaspiro[4.4]nonane-3-ene
(2Z,5S)-2-(ヘキサ-2,4-ジイン-1-イリデン)-1,6-ジオキサスピロ[4.4]ノナ-3-エン
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： C13H12O2
Molecular formula furigana： C13-H12-O2
Molecular weight： 200.237
InChI：
InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3/b12-7-/t13-/m0/s1
InChI key：
WTRXKCNFPMTAJV-OTAKNEKHSA-N
SMILES：
CC#CC#C/C=C/1\O[C@@]2(CCCO2)C=C1
Systematic name (3)：
- (5S)-2-[(Z)-2,4-ヘキサジイン-1-イリデン]-1,6-ジオキサスピロ[4.4]ノナン-3-エン
- (2Z,5S)-2-(ヘキサ-2,4-ジイン-1-イリデン)-1,6-ジオキサスピロ[4.4]ノナ-3-エン
- (2Z,5S)-2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.4]non-3-ene
- (5S)-2-[(Z)-2,4-Hexadiyne-1-ylidene]-1,6-dioxaspiro[4.4]nonane-3-ene
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