4-[2-[8-[[4-氯-6-[[4-[[2-(磺氧基)乙基]磺酰基]苯基]氨基]-1,3,5-三嗪-2-基]氨基]-1-羟基-3,6-二磺基-2-萘基]偶氮基]苯甲酸钠
Benzoic acid, 4-[2-[8-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:4) · CAS 228574-07-0
- 中文名
- 4-[2-[8-[[4-氯-6-[[4-[[2-(磺氧基)乙基]磺酰基]苯基]氨基]-1,3,5-三嗪-2-基]氨基]-1-羟基-3,6-二磺基-2-萘基]偶氮基]苯甲酸钠
- 中文别名
- 暂无
- 英文名
- Benzoic acid, 4-[2-[8-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:4)
- CAS
- 228574-07-0
- CID
- 177841975
- IUPAC 名称
- tetrasodium;3-[(4-carboxyphenyl)diazenyl]-5-[[4-chloro-6-[4-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-4-oxidonaphthalene-2,7-disulfonate
名称与编号
- 中文名
- 4-[2-[8-[[4-氯-6-[[4-[[2-(磺氧基)乙基]磺酰基]苯基]氨基]-1,3,5-三嗪-2-基]氨基]-1-羟基-3,6-二磺基-2-萘基]偶氮基]苯甲酸钠
- 中文别名
- 暂无
- 英文名
- Benzoic acid, 4-[2-[8-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:4)
- CAS
- 228574-07-0
- CID
- 177841975
- IUPAC 名称
- tetrasodium;3-[(4-carboxyphenyl)diazenyl]-5-[[4-chloro-6-[4-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-4-oxidonaphthalene-2,7-disulfonate
分子属性
- 分子式
- C28H18ClN7Na4O15S4
- 分子量
- 948.2 g/mol
- 精确质量
- 946.9023024 Da
- 单同位素质量
- 946.9023024 Da
- XLogP
- 暂无
- 极性表面积
- 396 Ų
- 氢键供体
- 3
- 氢键受体
- 22
- 可旋转键
- 11
- 重原子数
- 59
- 净电荷
- 0
- 结构复杂度
- 1770
结构标识
- InChIKey
- CPYMFGLWKWTLAV-UHFFFAOYSA-J
- SMILES
- C1=CC(=CC=C1C(=O)O)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])NC4=NC(=NC(=N4)NC5=CC=C(C=C5)S(=O)(=O)CCOS(=O)(=O)[O-])Cl)[O-].[Na+].[Na+].[Na+].[Na+]
- InChI
- InChI=1S/C28H22ClN7O15S4.4Na/c29-26-32-27(30-16-5-7-18(8-6-16)52(40,41)10-9-51-55(48,49)50)34-28(33-26)31-20-13-19(53(42,43)44)11-15-12-21(54(45,46)47)23(24(37)22(15)20)36-35-17-3-1-14(2-4-17)25(38)39;;;;/h1-8,11-13,37H,9-10H2,(H,38,39)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,30,31,32,33,34);;;;/q;4*+1/p-4