Naphtho[2,3-d]thiazolium, 2-[2-[2-(diphenylamino)-3-[2-[3-(4-methoxy-4-oxobutyl)naphtho[2,3-d]thiazol-2(3H)-ylidene]ethylidene]-1-cyclopenten-1-yl]ethenyl]-3-(4-methoxy-4-oxobutyl)-, perchlorate (1:1)
基本情報
- CAS
62669-62-9- 標準SMILES
COC(=O)CCCN1/C(=C\C=C2/CCC(/C=C/c3sc4cc5ccccc5cc4[n+]3CCCC(=O)OC)=C2N(c2ccccc2)c2ccccc2)Sc2cc3ccccc3cc21.[O-][Cl+3]([O-])([O-])[O-]- InChIKey
LUJHNAMCGIFCOY-UHFFFAOYSA-M- 分子式
- C53H48ClN3O8S2
- 平均分子量
- 954.5 g/mol
- 単同位体質量
- 953.2571355
名称と識別子
- 優先名称
- Naphtho[2,3-d]thiazolium, 2-[2-[2-(diphenylamino)-3-[2-[3-(4-methoxy-4-oxobutyl)naphtho[2,3-d]thiazol-2(3H)-ylidene]ethylidene]-1-cyclopenten-1-yl]ethenyl]-3-(4-methoxy-4-oxobutyl)-, perchlorate (1:1)
- IUPAC
- methyl 4-[(2E)-2-[(2E)-2-[3-[(E)-2-[3-(4-methoxy-4-oxobutyl)benzo[f][1,3]benzothiazol-3-ium-2-yl]ethenyl]-2-(N-phenylanilino)cyclopent-2-en-1-ylidene]ethylidene]benzo[f][1,3]benzothiazol-3-yl]butanoate perchlorate
名称と別名
EINECS 263-683-662669-62-9Naphtho(2,3-d)thiazolium, 2-(2-(2-(diphenylamino)-3-((3-(4-methoxy-4-oxobutyl)naphtho(2,3-d)thiazol-2(3H)-ylidene)ethylidene)-1-cyclopenten-1-yl)ethenyl)-3-(4-methoxy-4-oxobutyl)-, perchlorateNaphtho[2,3-d]thiazolium, 2-[2-[2-(diphenylamino)-3-[[3-(4-methoxy-4-oxobutyl)naphtho[2,3-d]thiazol-2(3H)-ylidene]ethylidene]-1-cyclopenten-1-yl]ethenyl]-3-(4-methoxy-4-oxobutyl)-, perchlorateDTXSID6069614Naphtho(2,3-d)thiazolium, 2-(2-(2-(diphenylamino)-3-(2-(3-(4-methoxy-4-oxobutyl)naphtho(2,3-d)thiazol-2(3H)-ylidene)ethylidene)-1-cyclopenten-1-yl)ethenyl)-3-(4-methoxy-4-oxobutyl)-, perchlorate (1:1)RefChem:164735DTXCID1043467Naphtho[2,3-d]thiazolium, 2-[2-[2-(diphenylamino)-3-[2-[3-(4-methoxy-4-oxobutyl)naphtho[2,3-d]thiazol-2(3H)-ylidene]ethylidene]-1-cyclopenten-1-yl]ethenyl]-3-(4-methoxy-4-oxobutyl)-, perchlorate (1:1)
データベース識別子
- CAS
62669-62-9- PubChem CID
- 5490832
- EC Number
- 263-683-6
物性
構造計算による物性
- 極性表面積
- 191 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 12
- 回転可能結合数
- 16
- 重原子数
- 67
- 形式電荷
- 0
- 複雑度
- 1,650
化学と産業
用途と製造
General Manufacturing InformationNaphtho[2,3-d]thiazolium, 2-[2-[2-(diphenylamino)-3-[2-[3-(4-methoxy-4-oxobutyl)naphtho[2,3-d]thiazol-2(3H)-ylidene]ethylidene]-1-cyclopenten-1-yl]ethenyl]-3-(4-methoxy-4-oxobutyl)-, perchlorate (1:1): INACTIVE
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…