4-羟基-3-[2-甲氧基-5-(2-砜基-乙磺酰基)-苯基偶氮]-7-(磺甲基氨基)-8-[2-磺基-4-(2-砜基-乙磺酰基)-苯基偶氮]-萘-2-磺酸

4-Hydroxy-3-[2-[2-methoxy-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-7-[(sulfomethyl)amino]-8-[2-[2-sulfo-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-2-naphthalenesulfonic acid · CAS 761398-67-8

中文名: 4-羟基-3-[2-甲氧基-5-(2-砜基-乙磺酰基)-苯基偶氮]-7-(磺甲基氨基)-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: 4-Hydroxy-3-[2-[2-methoxy-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-7-[(sulfomethyl)amino]-8-[2-[2-sulfo-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-2-naphthalenesulfonic acid
CAS: 761398-67-8
CID: 136603638
IUPAC 名称: 4-hydroxy-3-[[2-methoxy-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-7-(sulfomethylamino)-8-[[2-sulfo-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonic acid

名称与编号

中文名: 4-羟基-3-[2-甲氧基-5-(2-砜基-乙磺酰基)-苯基偶氮]-7-(磺甲基氨基)-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: 4-Hydroxy-3-[2-[2-methoxy-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-7-[(sulfomethyl)amino]-8-[2-[2-sulfo-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-2-naphthalenesulfonic acid
CAS: 761398-67-8
CID: 136603638
IUPAC 名称: 4-hydroxy-3-[[2-methoxy-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-7-(sulfomethylamino)-8-[[2-sulfo-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonic acid

分子属性

分子式: C28H29N5O23S7
分子量: 1028 g/mol
精确质量: 1026.9298304 Da
单同位素质量: 1026.9298304 Da
XLogP: -0.9
极性表面积: 508 Å²
氢键供体: 7
氢键受体: 28
可旋转键: 20
重原子数: 63
净电荷: 0
结构复杂度: 2430

结构标识

InChIKey: OKHQQZKPCCLFOJ-UHFFFAOYSA-N
SMILES: COC1=C(C=C(C=C1)S(=O)(=O)CCOS(=O)(=O)O)N=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)NCS(=O)(=O)O)S(=O)(=O)O
InChI: InChI=1S/C28H29N5O23S7/c1-54-23-7-3-16(57(35,36)10-8-55-62(48,49)50)12-22(23)31-33-27-25(61(45,46)47)14-19-18(28(27)34)4-6-21(29-15-59(39,40)41)26(19)32-30-20-5-2-17(13-24(20)60(42,43)44)58(37,38)11-9-56-63(51,52)53/h2-7,12-14,29,34H,8-11,15H2,1H3,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)