CAS 204444-01-9 Sodium 4-((2,3-dihydrothieno(3,4-b)(1,4)dioxin-2-yl)methoxy)butane-1-sulfonate (HCID 23588691)

基本情報

CAS: 204444-01-9
標準SMILES: O=S(=O)([O-])CCCCOCC1COc2cscc2O1.[Na+]
InChIKey: CJNYCXOZPQVMIV-UHFFFAOYSA-M
分子式: C11H15NaO6S2
平均分子量: 330.4 g/mol
単同位体質量: 330.02077448

名称と識別子

優先名称: Sodium 4-((2,3-dihydrothieno(3,4-b)(1,4)dioxin-2-yl)methoxy)butane-1-sulfonate
IUPAC: sodium 4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)butane-1-sulfonate
英語名: Sodium 4-((2,3-dihydrothieno[3,4-b][1,4]-dioxin-2-yl)methoxy)butane-1-sulfonate
分子式: C11H15NaO6S2
分子量: 330.35297

名称と別名

204444-01-9Sodium 4-((2,3-dihydrothieno[3,4-b][1,4]dioxin-2-yl)methoxy)butane-1-sulfonateDTXSID40635092Sodium 4-((2,3-dihydrothieno(3,4-b)(1,4)dioxin-2-yl)methoxy)butane-1-sulfonateSodium 4-[(2,3-dihydrothieno[3,4-b][1,4]dioxin-2-yl)methoxy]butane-1-sulfonateRefChem:1098688DTXCID605858434-(2,3-Dihydro-thieno[3,4-b][1,4]dioxin-2-ylmethoxy)-butane-1-sulfonic acid sodium saltsodium;4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)butane-1-sulfonateSodium 4-((2,3-dihydrothieno[3,4-b][1,4]-dioxin-2-yl)methoxy)butane-1-sulfonate1-Butanesulfonic acid, 4-[(2,3-dihydrothieno[3,4-b]-1,4-dioxin-2-yl)methoxy]-, sodium salt (1:1)SCHEMBL1631869

名称をさらに表示

Sodium 4- [(2,3-dihydrothieno [3,4-b] -1,4-dioxin-2-yl) methoxy] -1-butanesulfonate

CJNYCXOZPQVMIV-UHFFFAOYSA-MMFCD12022596AKOS016005161sodium,4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)butane-1-sulfonateAS-91810G65672F8984944-(2,3-dihydro-thieno[3,4-b][1,4]dioxin-2-yl-methoxy)-butane-1-sulfonic acid sodium salt

物性

構造計算による物性

極性表面積: 122 Å²
水素結合供与体数: 0
水素結合受容体数: 7
回転可能結合数: 7
重原子数: 20
形式電荷: 0
複雑度: 372

物理化学的性質

貯蔵温度: Inert atmosphere,Room Temperature
InChI: InChI=1S/C11H16O6S2.Na/c12-19(13,14)4-2-1-3-15-5-9-6-16-10-7-18-8-11(10)17-9;/h7-9H,1-6H2,(H,12,13,14);/q;+1/p-1
InChIKey: CJNYCXOZPQVMIV-UHFFFAOYSA-M
SMILES: [Na+].C(S([O-])(=O)=O)CCCOCC1COC2=CSC=C2O1