Chem
J-GLOBAL ID：200907029454899766
Nikkaji number：J2.355.105E
(2E)-2,3-Bis(cyclopentadienide-1-ylethynyl)-2-butene-1,4-diol diacetate
(2E)-2,3-ビス(シクロペンタジエニド-1-イルエチニル)-2-ブテン-1,4-ジオールジアセタート
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： C22H16O4
Molecular formula furigana： C22-H16-O4
Molecular weight： 344.366
InChI：
InChI=1S/C22H16O4/c1-17(23)25-15-21(13-11-19-7-3-4-8-19)22(16-26-18(2)24)14-12-20-9-5-6-10-20/h3-7,9H,15-16H2,1-2H3/b22-21+
InChI key：
NNAGVGMOSPSQAY-QURGRASLSA-N
SMILES：
CC(=O)OC/C(=C(/COC(=O)C)\C#CC1=C=CC=C1)/C#CC1=C=CC=C1
Systematic name (3)：
- (2E)-2,3-ビス(シクロペンタジエニド-1-イルエチニル)-2-ブテン-1,4-ジオールジアセタート
- (2E)-3-[(アセチルオキシ)メチル]-5-(シクロペンタ-1,2,4-トリエン-1-イル)-2-[2-(シクロペンタ-1,2,4-トリエン-1-イル)エチニル]ペンタ-2-エン-4-イン-1-イル アセタート
- (2E)-3-[(acetyloxy)methyl]-5-(cyclopenta-1,2,4-trien-1-yl)-2-[2-(cyclopenta-1,2,4-trien-1-yl)ethynyl]pent-2-en-4-yn-1-yl acetate
- (2E)-2,3-Bis(cyclopentadienide-1-ylethynyl)-2-butene-1,4-diol diacetate
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