5-[[2,4-二羟基-5-[[4-(6-甲基-4-磺基-2-苯并噻唑基)苯基]偶氮]苯基]偶氮]-4-羟基-3-[(4-硝基苯基)偶氮]-2,7-萘二磺酸

2,7-Naphthalenedisulfonic acid, 5-[[2,4-dihydroxy-5-[[4-(6-methyl-4-sulfo-2-benzothiazolyl)phenyl]azo]phenyl]azo]-4-hydroxy-3-[(4-nitrophenyl)azo]- · CAS 72152-66-0

中文名: 5-[[2,4-二羟基-5-[[4-(6-甲基-4-磺基-2-苯并噻唑基)苯基]偶氮]苯基]偶氮]-4-羟基-3-[(4-硝基苯基)偶氮]-2,7-萘二磺酸
中文别名: 暂无
英文名: 2,7-Naphthalenedisulfonic acid, 5-[[2,4-dihydroxy-5-[[4-(6-methyl-4-sulfo-2-benzothiazolyl)phenyl]azo]phenyl]azo]-4-hydroxy-3-[(4-nitrophenyl)azo]-
CAS: 72152-66-0
CID: 174945
IUPAC 名称: 5-[[2,4-dihydroxy-5-[[4-(6-methyl-4-sulfo-1,3-benzothiazol-2-yl)phenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-3-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid

名称与编号

中文名: 5-[[2,4-二羟基-5-[[4-(6-甲基-4-磺基-2-苯并噻唑基)苯基]偶氮]苯基]偶氮]-4-羟基-3-[(4-硝基苯基)偶氮]-2,7-萘二磺酸
中文别名: 暂无
英文名: 2,7-Naphthalenedisulfonic acid, 5-[[2,4-dihydroxy-5-[[4-(6-methyl-4-sulfo-2-benzothiazolyl)phenyl]azo]phenyl]azo]-4-hydroxy-3-[(4-nitrophenyl)azo]-
CAS: 72152-66-0
CID: 174945
IUPAC 名称: 5-[[2,4-dihydroxy-5-[[4-(6-methyl-4-sulfo-1,3-benzothiazol-2-yl)phenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-3-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid

分子属性

分子式: C36H24N8O14S4
分子量: 920.9 g/mol
精确质量: 920.02948216 Da
单同位素质量: 920.02948216 Da
XLogP: 6
极性表面积: 410 Å²
氢键供体: 6
氢键受体: 22
可旋转键: 10
重原子数: 62
净电荷: 0
结构复杂度: 2010

结构标识

InChIKey: HKOAIEWUIIILPI-UHFFFAOYSA-N
SMILES: CC1=CC2=C(C(=C1)S(=O)(=O)O)N=C(S2)C3=CC=C(C=C3)N=NC4=CC(=C(C=C4O)O)N=NC5=C6C(=CC(=C5)S(=O)(=O)O)C=C(C(=C6O)N=NC7=CC=C(C=C7)[N+](=O)[O-])S(=O)(=O)O
InChI: InChI=1S/C36H24N8O14S4/c1-17-10-29-33(30(11-17)61(53,54)55)37-36(59-29)18-2-4-20(5-3-18)38-40-24-15-25(28(46)16-27(24)45)41-42-26-14-23(60(50,51)52)12-19-13-31(62(56,57)58)34(35(47)32(19)26)43-39-21-6-8-22(9-7-21)44(48)49/h2-16,45-47H,1H3,(H,50,51,52)(H,53,54,55)(H,56,57,58)