9-(2-羧基苯基)-3,6-双(二乙氨基)占 吨翁与[8-[5-氯代-2-羟苯基)偶 氮]-7-羟基-1,3-萘二磺酸根合(4-)] 铬酸盐(1-)
9-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthylium (8-((5-chloro-2-hydroxyphenyl)azo)-7-hydroxynaphthalene-1,3-disulphonato(4-))chromate(1-) · CAS 85392-61-6
- 中文名
- 9-(2-羧基苯基)-3,6-双(二乙氨基)占 吨翁与[8-[5-氯代-2-羟苯基)偶 氮]-7-羟基-1,3-萘二磺酸根合(4-)] 铬酸盐(1-)
- 中文别名
- 暂无
- 英文名
- 9-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthylium (8-((5-chloro-2-hydroxyphenyl)azo)-7-hydroxynaphthalene-1,3-disulphonato(4-))chromate(1-)
- CAS
- 85392-61-6
- CID
- 136180094
- IUPAC 名称
- [9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium;8-[(5-chloro-2-hydroxyphenyl)diazenyl]-7-hydroxynaphthalene-1,3-disulfonic acid;chromium
名称与编号
- 中文名
- 9-(2-羧基苯基)-3,6-双(二乙氨基)占 吨翁与[8-[5-氯代-2-羟苯基)偶 氮]-7-羟基-1,3-萘二磺酸根合(4-)] 铬酸盐(1-)
- 中文别名
- 暂无
- 英文名
- 9-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthylium (8-((5-chloro-2-hydroxyphenyl)azo)-7-hydroxynaphthalene-1,3-disulphonato(4-))chromate(1-)
- CAS
- 85392-61-6
- CID
- 136180094
- IUPAC 名称
- [9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium;8-[(5-chloro-2-hydroxyphenyl)diazenyl]-7-hydroxynaphthalene-1,3-disulfonic acid;chromium
分子属性
- 分子式
- C44H42ClCrN4O11S2+
- 分子量
- 954.4 g/mol
- 精确质量
- 953.138508 Da
- 单同位素质量
- 953.138508 Da
- XLogP
- 暂无
- 极性表面积
- 243 Ų
- 氢键供体
- 5
- 氢键受体
- 14
- 可旋转键
- 7
- 重原子数
- 63
- 净电荷
- 1
- 结构复杂度
- 1640
结构标识
- InChIKey
- KBHVWXATZHPMHR-UHFFFAOYSA-O
- SMILES
- CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.C1=CC(=C(C2=C(C=C(C=C21)S(=O)(=O)O)S(=O)(=O)O)N=NC3=C(C=CC(=C3)Cl)O)O.[Cr]
- InChI
- InChI=1S/C28H30N2O3.C16H11ClN2O8S2.Cr/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;17-9-2-4-12(20)11(6-9)18-19-16-13(21)3-1-8-5-10(28(22,23)24)7-14(15(8)16)29(25,26)27;/h9-18H,5-8H2,1-4H3;1-7,20-21H,(H,22,23,24)(H,25,26,27);/p+1