CAS号:27619-97-2-3,3,4,4,5,5,6,6,7,7,8,8,8-十三氟辛磺酸 - 1-Octanesulfonic acid, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro--科华智慧

1. 主信息

英文名:	1-Octanesulfonic acid, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-
中文名:	3,3,4,4,5,5,6,6,7,7,8,8,8-十三氟辛磺酸
CAS编号:	27619-97-2
化学分子式：	C₆F₁₃CH₂CH₂SO₃H
化学分子量：	428.17 g/mol
SMILES：	C(CS(=O)(=O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
来源：	合成化合物
结构类型：	-
其它名称或标识：	1H,1H,2H,2H-perfluorodecanesulphonic acid 1H,1H,2H,2H-perfluorohexanesulfonic acid 3,3,4,4,5,5,6,6,6-nonafluorohexane-1-sulfonate 3,3,4,4,5,5,6,6,6-nonafluorohexane-1-sulfonic acid 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctane-1-sulfonatato

2. 供应商与价格

供应商	包装规格	含量	价格(元)	环境要求	货期	说明
科华智慧	10mg	>97%	1704	−20°C	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 30 29 0 0 0 0 0 0 0999 V2000 -4.3466 1.5287 -0.3135 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9545 -2.7159 -1.0301 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2224 -2.8146 0.7963 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5597 -2.0036 -1.3682 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1659 -0.3749 -1.7305 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9346 -0.5474 1.7384 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.2987 -2.1542 1.2135 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1587 -1.0195 1.1032 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7382 0.6116 0.8464 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4944 -0.2807 -1.1239 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1017 1.3520 -1.4831 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1286 0.7673 1.3412 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6870 2.3650 1.0350 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3922 2.1709 -0.3108 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.4622 1.8980 0.8178 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9872 0.7653 -1.3689 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5658 2.7177 -0.6035 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3678 -1.9438 -0.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7243 -1.1234 -0.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4680 -1.2124 0.6829 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5560 -0.2334 0.1668 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2974 -0.2510 -0.1591 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6483 0.5887 -0.5013 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3726 0.4359 0.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4778 1.4736 0.3952 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6546 0.5234 -0.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7622 -0.7965 -0.9884 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0520 -0.3079 1.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9322 1.0246 1.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0959 1.1760 1.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 16 2 0 0 0 0 1 17 2 0 0 0 0 1 24 1 0 0 0 0 2 18 1 0 0 0 0 3 18 1 0 0 0 0 4 19 1 0 0 0 0 5 19 1 0 0 0 0 6 20 1 0 0 0 0 7 20 1 0 0 0 0 8 21 1 0 0 0 0 9 21 1 0 0 0 0 10 23 1 0 0 0 0 11 23 1 0 0 0 0 12 25 1 0 0 0 0 13 25 1 0 0 0 0 14 25 1 0 0 0 0 15 30 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 26 1 0 0 0 0 22 27 1 0 0 0 0 23 25 1 0 0 0 0 24 28 1 0 0 0 0 24 29 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonic acid

4.2 InChl

InChI=1S/C8H5F13O3S/c9-3(10,1-2-25(22,23)24)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H2,(H,22,23,24)

4.3 InChlKey

VIONGDJUYAYOPU-UHFFFAOYSA-N

4.4 Canonical SMILES

C(CS(=O)(=O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

4.5 lsomeric SMILES

4.6 SDF文件

补充中

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5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

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6. 相关药材

中文名称

英文名称

拉丁文名称

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7. 相关靶点

基因靶点

靶点位置

参考文献

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8. 相关疾病

疾病名称

疾病类型