5-[[4-[[8-[[4-[[4-[(3-羰基-4-羟基 苯基)偶氮]苯基]氨基]-6-(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]-5-甲氧基 -2-甲基苯基]偶氮]-2-羟基-3-磺基- 苯甲酸五钠盐
Benzoic acid, 5-[2-[4-[2-[8-[[4-[[4-[2-(3-carboxy-4-hydroxyphenyl)diazenyl]phenyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-5-methoxy-2-methylphenyl]diazenyl]-2-hydroxy-3-sulfo-, sodium salt (1:5) · CAS 7219-11-6
- 中文名
- 5-[[4-[[8-[[4-[[4-[(3-羰基-4-羟基 苯基)偶氮]苯基]氨基]-6-(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]-5-甲氧基 -2-甲基苯基]偶氮]-2-羟基-3-磺基- 苯甲酸五钠盐
- 中文别名
- 暂无
- 英文名
- Benzoic acid, 5-[2-[4-[2-[8-[[4-[[4-[2-(3-carboxy-4-hydroxyphenyl)diazenyl]phenyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-5-methoxy-2-methylphenyl]diazenyl]-2-hydroxy-3-sulfo-, sodium salt (1:5)
- CAS
- 7219-11-6
- CID
- 16131201
- IUPAC 名称
- pentasodium;5-[[4-[[8-[[4-anilino-6-[4-[(3-carboxylato-4-hydroxyphenyl)diazenyl]anilino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfonatonaphthalen-2-yl]diazenyl]-5-methoxy-2-methylphenyl]diazenyl]-2-hydroxy-3-sulfonatobenzoate
名称与编号
- 中文名
- 5-[[4-[[8-[[4-[[4-[(3-羰基-4-羟基 苯基)偶氮]苯基]氨基]-6-(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]-5-甲氧基 -2-甲基苯基]偶氮]-2-羟基-3-磺基- 苯甲酸五钠盐
- 中文别名
- 暂无
- 英文名
- Benzoic acid, 5-[2-[4-[2-[8-[[4-[[4-[2-(3-carboxy-4-hydroxyphenyl)diazenyl]phenyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-5-methoxy-2-methylphenyl]diazenyl]-2-hydroxy-3-sulfo-, sodium salt (1:5)
- CAS
- 7219-11-6
- CID
- 16131201
- IUPAC 名称
- pentasodium;5-[[4-[[8-[[4-anilino-6-[4-[(3-carboxylato-4-hydroxyphenyl)diazenyl]anilino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfonatonaphthalen-2-yl]diazenyl]-5-methoxy-2-methylphenyl]diazenyl]-2-hydroxy-3-sulfonatobenzoate
分子属性
- 分子式
- C47H31N12Na5O17S3
- 分子量
- 1247 g/mol
- 精确质量
- 1246.0580725 Da
- 单同位素质量
- 1246.0580725 Da
- XLogP
- 暂无
- 极性表面积
- 496 Ų
- 氢键供体
- 6
- 氢键受体
- 29
- 可旋转键
- 13
- 重原子数
- 84
- 净电荷
- 0
- 结构复杂度
- 2460
结构标识
- InChIKey
- QLKQKKXODVPPLY-UHFFFAOYSA-I
- SMILES
- CC1=CC(=C(C=C1N=NC2=CC(=C(C(=C2)S(=O)(=O)[O-])O)C(=O)[O-])OC)N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])NC5=NC(=NC(=N5)NC6=CC=C(C=C6)N=NC7=CC(=C(C=C7)O)C(=O)[O-])NC8=CC=CC=C8)O.[Na+].[Na+].[Na+].[Na+].[Na+]
- InChI
- InChI=1S/C47H36N12O17S3.5Na/c1-22-14-33(36(76-2)21-32(22)57-56-28-18-31(44(65)66)41(61)38(19-28)79(73,74)75)58-59-40-37(78(70,71)72)16-23-15-29(77(67,68)69)20-34(39(23)42(40)62)50-47-52-45(48-24-6-4-3-5-7-24)51-46(53-47)49-25-8-10-26(11-9-25)54-55-27-12-13-35(60)30(17-27)43(63)64;;;;;/h3-21,60-62H,1-2H3,(H,63,64)(H,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H3,48,49,50,51,52,53);;;;;/q;5*+1/p-5