3-[[4-[(2,4-二甲基-6-磺基苯基)偶氮基]-2-甲氧基-5-甲基苯基]偶氮基]-4-羟基-7-(苯基氨基)-2-萘磺酸钠与2,2',2''-次氮基三乙醇的化合物

Sodium;7-anilino-3-[[4-[(2,4-dimethyl-6-sulfonatophenyl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;tris(2-hydroxyethyl)azanium · CAS 94213-53-3

中文名: 3-[[4-[(2,4-二甲基-6-磺基苯基)偶氮基]-2-甲氧基-5-甲基苯基]偶氮基]-4-羟基-7-(苯基氨基)-2-萘磺酸钠与2,2',2''-次氮基三乙醇的化合物
中文别名: 暂无
英文名: Sodium;7-anilino-3-[[4-[(2,4-dimethyl-6-sulfonatophenyl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;tris(2-hydroxyethyl)azanium
CAS: 94213-53-3
CID: 136252406
IUPAC 名称: sodium;7-anilino-3-[[4-[(2,4-dimethyl-6-sulfonatophenyl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;tris(2-hydroxyethyl)azanium

名称与编号

中文名: 3-[[4-[(2,4-二甲基-6-磺基苯基)偶氮基]-2-甲氧基-5-甲基苯基]偶氮基]-4-羟基-7-(苯基氨基)-2-萘磺酸钠与2,2',2''-次氮基三乙醇的化合物
中文别名: 暂无
英文名: Sodium;7-anilino-3-[[4-[(2,4-dimethyl-6-sulfonatophenyl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;tris(2-hydroxyethyl)azanium
CAS: 94213-53-3
CID: 136252406
IUPAC 名称: sodium;7-anilino-3-[[4-[(2,4-dimethyl-6-sulfonatophenyl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;tris(2-hydroxyethyl)azanium

分子属性

分子式: C38H43N6NaO11S2
分子量: 846.9 g/mol
精确质量: 846.23289284 Da
单同位素质量: 846.23289284 Da
XLogP: 暂无
极性表面积: 287 Å²
氢键供体: 6
氢键受体: 16
可旋转键: 13
重原子数: 58
净电荷: 0
结构复杂度: 1340

结构标识

InChIKey: CPOZXRHZDHMEPU-UHFFFAOYSA-M
SMILES: CC1=CC(=C(C(=C1)S(=O)(=O)[O-])N=NC2=CC(=C(C=C2C)N=NC3=C(C=C4C=C(C=CC4=C3O)NC5=CC=CC=C5)S(=O)(=O)[O-])OC)C.C(CO)[NH+](CCO)CCO.[Na+]
InChI: InChI=1S/C32H29N5O8S2.C6H15NO3.Na/c1-18-12-20(3)30(28(13-18)46(39,40)41)36-34-25-17-27(45-4)26(14-19(25)2)35-37-31-29(47(42,43)44)16-21-15-23(10-11-24(21)32(31)38)33-22-8-6-5-7-9-22;8-4-1-7(2-5-9)3-6-10;/h5-17,33,38H,1-4H3,(H,39,40,41)(H,42,43,44);8-10H,1-6H2;/q;;+1/p-1