2-[[6-[[4-[[6-(苯甲酰氨基)-1-羟基 -3-磺基-2-萘基]偶氮]-3-甲基苯甲酰基]氨基]-1-羟基-3-磺基-2-萘基]偶氮]苯甲酸钠盐

2-((6-((4-((6-(Benzoylamino)-1-hydroxy-3-sulpho-2-naphthyl)azo)-3-methylbenzoyl)amino)-1-hydroxy-3-sulpho-2-naphthyl)azo)benzoic acid, sodium salt · CAS 93805-62-0

中文名: 2-[[6-[[4-[[6-(苯甲酰氨基)-1-羟基 -3-磺基-2-萘基]偶氮]-3-甲基苯甲酰基]氨基]-1-羟基-3-磺基-2-萘基]偶氮]苯甲酸钠盐
中文别名: 暂无
英文名: 2-((6-((4-((6-(Benzoylamino)-1-hydroxy-3-sulpho-2-naphthyl)azo)-3-methylbenzoyl)amino)-1-hydroxy-3-sulpho-2-naphthyl)azo)benzoic acid, sodium salt
CAS: 93805-62-0
CID: 136170941
IUPAC 名称: sodium 7-benzamido-3-[[4-[[6-[(2-carboxyphenyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]carbamoyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate

名称与编号

中文名: 2-[[6-[[4-[[6-(苯甲酰氨基)-1-羟基 -3-磺基-2-萘基]偶氮]-3-甲基苯甲酰基]氨基]-1-羟基-3-磺基-2-萘基]偶氮]苯甲酸钠盐
中文别名: 暂无
英文名: 2-((6-((4-((6-(Benzoylamino)-1-hydroxy-3-sulpho-2-naphthyl)azo)-3-methylbenzoyl)amino)-1-hydroxy-3-sulpho-2-naphthyl)azo)benzoic acid, sodium salt
CAS: 93805-62-0
CID: 136170941
IUPAC 名称: sodium 7-benzamido-3-[[4-[[6-[(2-carboxyphenyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]carbamoyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate

分子属性

分子式: C42H29N6NaO12S2
分子量: 896.8 g/mol
精确质量: 896.11825701 Da
单同位素质量: 896.11825701 Da
XLogP: 暂无
极性表面积: 314 Å²
氢键供体: 6
氢键受体: 16
可旋转键: 11
重原子数: 63
净电荷: 0
结构复杂度: 1890

结构标识

InChIKey: OJFLVJJLSQMCJK-UHFFFAOYSA-M
SMILES: CC1=C(C=CC(=C1)C(=O)NC2=CC3=CC(=C(C(=C3C=C2)O)N=NC4=CC=CC=C4C(=O)O)S(=O)(=O)O)N=NC5=C(C=C6C=C(C=CC6=C5O)NC(=O)C7=CC=CC=C7)S(=O)(=O)[O-].[Na+]
InChI: InChI=1S/C42H30N6O12S2.Na/c1-22-17-24(41(52)44-28-13-15-30-26(19-28)21-35(62(58,59)60)37(39(30)50)48-46-33-10-6-5-9-31(33)42(53)54)11-16-32(22)45-47-36-34(61(55,56)57)20-25-18-27(12-14-29(25)38(36)49)43-40(51)23-7-3-2-4-8-23;/h2-21,49-50H,1H3,(H,43,51)(H,44,52)(H,53,54)(H,55,56,57)(H,58,59,60);/q;+1/p-1