7-Benzothiazolesulfonicacid,2-[4-[2-[1-[[(2-methoxy-5-methyl-4-sulfophenyl)amino]carbonyl]-2-oxopropyl]diazenyl]phenyl]-6-methyl-,sodium salt (1:2)
- 中文别名：直接黄157
- 中文释义：直接黄157;2-[4-[[1-[[(2-甲氧基-5-甲基-4-磺酸基苯基)氨基]羰基]-2-氧代丙基]偶氮]苯基]-6-甲基-7-苯并噻唑磺酸二钠盐
- 英文别名：disodium,2-[4-[[1-(2-methoxy-5-methyl-4-sulfonatoanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate;
Disodium 2-(4-((1-(((2-methoxy-5-methyl-4-sulphonatophenyl)amino)carbonyl)-2-oxopropyl)azo)phenyl)-6-methylbenzothiazole-7-sulphonate;
7-Benzothiazolesulfonic acid, 2-(4-((1-(((2-methoxy-5-methyl-4-sulfophenyl)amino)carbonyl)-2-oxopropyl)azo)phenyl)-6-methyl-, disodium salt;
disodium 2-{4-[(E)-{1-[(2-methoxy-5-methyl-4-sulfonatophenyl)amino]-1,3-dioxobutan-2-yl}diazenyl]phenyl}-6-methyl-1,3-benzothiazole-7-sulfonate;
Disodium 2-[4-[[1-[[(2-Methoxy-5-Methyl-4-Sulphonatophenyl)Amino]Carbonyl]-2-Oxopropyl]Azo]Phenyl]-6-Methylbenzothiazole-7-Sulphonate;
Direct Yellow 157;
3-Acetoacetylamino-4-methoxytoluene-6-sulfonic acid ammonium salt;
Propanoic acid, 2-4-3-chloro-5-(trifluoromethyl)-2-pyridinyloxyphenoxy-, methyl ester, (2R)-;
methyl (2R)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate;
Haloxyfop-P-methyl;
Pirarubicine [French];
Pirarubicinum;
Pirarubicinum [Latin];
THP-adriamycin;
5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-4-O-(tetrahydro-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,
- CAS No.：72705-26-1
- 分子式：C26H24N4O9S3.2Na
- 分子量：676.64900
- 精确分子量：676.03400
- PSA：252.41000
- InChI：InChI=1/C26H24N4O9S3.2Na/c1-13-5-10-18-23(24(13)42(36,37)38)40-26(28-18)16-6-8-17(9-7-16)29-30-22(15(3)31)25(32)27-19-11-14(2)21(41(33,34)35)12-20(19)39-4;;/h5-12,22H,1-4H3,(H,27,32)(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2/b30-29+;;
- 分子结构式：
分子结构与计算化学数据
计算化学数据
1.疏水参数计算参考值（XlogP）:无
2.氢键供体数量:1
3.氢键受体数量:13
4.可旋转化学键数量:7
5.互变异构体数量:20
6.拓扑分子极性表面积:252
7.重原子数量:44
8.表面电荷:0
9.复杂度:1200
10.同位素原子数量:0
11.确定原子立构中心数量:0
12.不确定原子立构中心数量:1
13.确定化学键立构中心数量:0
14.不确定化学键立构中心数量:0
15.共价键单元数量:3
