7-氨基-4-羟基-3-[3-(2-砜基-乙磺酰基)-苯基偶氮]-8-[2-磺基-4-(2-砜基-乙磺酰基)-苯基偶氮]-萘-2-磺酸

7-Amino-4-hydroxy-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-8-[2-[2-sulfo-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-2-naphthalenesulfonic acid · CAS 177964-38-4

中文名: 7-氨基-4-羟基-3-[3-(2-砜基-乙磺酰基)-苯基偶氮]-8-[2-磺基-4-(2-砜基-乙磺酰基)-苯基偶氮]-萘-2-磺酸
中文别名: 暂无
英文名: 7-Amino-4-hydroxy-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-8-[2-[2-sulfo-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-2-naphthalenesulfonic acid
CAS: 177964-38-4
CID: 136607974
IUPAC 名称: 7-amino-4-hydroxy-3-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-8-[[2-sulfo-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonic acid

名称与编号

中文名: 7-氨基-4-羟基-3-[3-(2-砜基-乙磺酰基)-苯基偶氮]-8-[2-磺基-4-(2-砜基-乙磺酰基)-苯基偶氮]-萘-2-磺酸
中文别名: 暂无
英文名: 7-Amino-4-hydroxy-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-8-[2-[2-sulfo-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-2-naphthalenesulfonic acid
CAS: 177964-38-4
CID: 136607974
IUPAC 名称: 7-amino-4-hydroxy-3-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-8-[[2-sulfo-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonic acid

分子属性

分子式: C26H25N5O19S6
分子量: 903.9 g/mol
精确质量: 902.9468006 Da
单同位素质量: 902.9468006 Da
XLogP: -0.5
极性表面积: 450 Å²
氢键供体: 6
氢键受体: 24
可旋转键: 16
重原子数: 56
净电荷: 0
结构复杂度: 2090

结构标识

InChIKey: VDDNBWJTSJZVEW-UHFFFAOYSA-N
SMILES: C1=CC(=CC=C1N=NC2=C(C=C3C(=C2O)C=CC(=C3N=NC4=C(C=C(C=C4)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O)N)S(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)O
InChI: InChI=1S/C26H25N5O19S6/c27-20-7-6-18-19(24(20)30-29-21-8-5-17(13-22(21)53(37,38)39)52(35,36)12-10-50-56(46,47)48)14-23(54(40,41)42)25(26(18)32)31-28-15-1-3-16(4-2-15)51(33,34)11-9-49-55(43,44)45/h1-8,13-14,32H,9-12,27H2,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)