5-[2,4-二羟基-5-[4-(6-甲基-2-苯并噻唑基)-3-磺基苯基]偶氮基]-4-羟基 -3-[3-磺基-4-[(4 磺酸苯基)偶氮基] 苯基]偶氮基-2,7-萘二磺酸五钠

Pentasodium 5-((2,4-dihydroxy-5-((4-(6-methylbenzothiazol-2-yl)-3-sulphonatophenyl)azo)phenyl)azo)-4-hydroxy-3-((3-sulphonato-4-((4-sulphonatophenyl)azo)phenyl)azo)naphthalene-2,7-disulphonate · CAS 72152-65-9

中文名: 5-[2,4-二羟基-5-[4-(6-甲基-2-苯并噻唑基)-3-磺基苯基]偶氮基]-4-羟基 -3-[3-磺基-4-[(4 磺酸苯基)偶氮基] 苯基]偶氮基-2,7-萘二磺酸五钠
中文别名: 暂无
英文名: Pentasodium 5-((2,4-dihydroxy-5-((4-(6-methylbenzothiazol-2-yl)-3-sulphonatophenyl)azo)phenyl)azo)-4-hydroxy-3-((3-sulphonato-4-((4-sulphonatophenyl)azo)phenyl)azo)naphthalene-2,7-disulphonate
CAS: 72152-65-9
CID: 166244
IUPAC 名称: pentasodium;5-[[2,4-dihydroxy-5-[[4-(6-methyl-1,3-benzothiazol-2-yl)-3-sulfonatophenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-3-[[3-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate

名称与编号

中文名: 5-[2,4-二羟基-5-[4-(6-甲基-2-苯并噻唑基)-3-磺基苯基]偶氮基]-4-羟基 -3-[3-磺基-4-[(4 磺酸苯基)偶氮基] 苯基]偶氮基-2,7-萘二磺酸五钠
中文别名: 暂无
英文名: Pentasodium 5-((2,4-dihydroxy-5-((4-(6-methylbenzothiazol-2-yl)-3-sulphonatophenyl)azo)phenyl)azo)-4-hydroxy-3-((3-sulphonato-4-((4-sulphonatophenyl)azo)phenyl)azo)naphthalene-2,7-disulphonate
CAS: 72152-65-9
CID: 166244
IUPAC 名称: pentasodium;5-[[2,4-dihydroxy-5-[[4-(6-methyl-1,3-benzothiazol-2-yl)-3-sulfonatophenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-3-[[3-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate

分子属性

分子式: C42H24N9Na5O18S6
分子量: 1250 g/mol
精确质量: 1248.9052034 Da
单同位素质量: 1248.9052034 Da
XLogP: 暂无
极性表面积: 529 Å²
氢键供体: 3
氢键受体: 28
可旋转键: 9
重原子数: 80
净电荷: 0
结构复杂度: 2640

结构标识

InChIKey: NLKWMNQDZZJOEB-UHFFFAOYSA-I
SMILES: CC1=CC2=C(C=C1)N=C(S2)C3=C(C=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=NC8=CC=C(C=C8)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]
InChI: InChI=1S/C42H29N9O18S6.5Na/c1-20-2-10-28-35(12-20)70-42(43-28)27-9-5-23(15-36(27)73(61,62)63)45-48-30-18-31(34(53)19-33(30)52)49-50-32-17-26(72(58,59)60)13-21-14-38(75(67,68)69)40(41(54)39(21)32)51-46-24-6-11-29(37(16-24)74(64,65)66)47-44-22-3-7-25(8-4-22)71(55,56)57;;;;;/h2-19,52-54H,1H3,(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69);;;;;/q;5*+1/p-5