[22-[[[3-[[4,5-二氢-3-甲基-5-氧代 -1-[3-磺基-4-[2-[2-磺基-4-[(2,5,6-三氯-4-嘧啶基)氨基]苯 基]乙烯基]苯基]-1H-吡唑-4-基]偶 氮]-4-磺苯基]氨基]磺酰 基]-29H,31H-酞菁-1,8,15-三磺酸基 (8-)-N29,N30,N31,N32]-(SP-4-2)镍酸六 钠
hexasodium;(2Z,20Z)-32-[[3-[[3-methyl-5-oxo-1-[2-sulfo-4-[(Z)-2-[2-sulfo-3-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]ethenyl]phenyl]-4H-pyrazol-4-yl]diazenyl]-4-sulfophenyl]sulfamoyl]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-2,4(9),5,7,10,12(39),13(18),14,16,20,22(27),23,25,28,30(37),31(36),32,34-octadecaene-5,14,23-trisulfonic acid;nickel · CAS 72152-45-5
- 中文名
- [22-[[[3-[[4,5-二氢-3-甲基-5-氧代 -1-[3-磺基-4-[2-[2-磺基-4-[(2,5,6-三氯-4-嘧啶基)氨基]苯 基]乙烯基]苯基]-1H-吡唑-4-基]偶 氮]-4-磺苯基]氨基]磺酰 基]-29H,31H-酞菁-1,8,15-三磺酸基 (8-)-N29,N30,N31,N32]-(SP-4-2)镍酸六 钠
- 中文别名
- 暂无
- 英文名
- hexasodium;(2Z,20Z)-32-[[3-[[3-methyl-5-oxo-1-[2-sulfo-4-[(Z)-2-[2-sulfo-3-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]ethenyl]phenyl]-4H-pyrazol-4-yl]diazenyl]-4-sulfophenyl]sulfamoyl]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-2,4(9),5,7,10,12(39),13(18),14,16,20,22(27),23,25,28,30(37),31(36),32,34-octadecaene-5,14,23-trisulfonic acid;nickel
- CAS
- 72152-45-5
- CID
- 133065570
- IUPAC 名称
- hexasodium;(2Z,20Z)-32-[[3-[[3-methyl-5-oxo-1-[2-sulfo-4-[(Z)-2-[2-sulfo-3-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]ethenyl]phenyl]-4H-pyrazol-4-yl]diazenyl]-4-sulfophenyl]sulfamoyl]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-2,4(9),5,7,10,12(39),13(18),14,16,20,22(27),23,25,28,30(37),31(36),32,34-octadecaene-5,14,23-trisulfonic acid;nickel
名称与编号
- 中文名
- [22-[[[3-[[4,5-二氢-3-甲基-5-氧代 -1-[3-磺基-4-[2-[2-磺基-4-[(2,5,6-三氯-4-嘧啶基)氨基]苯 基]乙烯基]苯基]-1H-吡唑-4-基]偶 氮]-4-磺苯基]氨基]磺酰 基]-29H,31H-酞菁-1,8,15-三磺酸基 (8-)-N29,N30,N31,N32]-(SP-4-2)镍酸六 钠
- 中文别名
- 暂无
- 英文名
- hexasodium;(2Z,20Z)-32-[[3-[[3-methyl-5-oxo-1-[2-sulfo-4-[(Z)-2-[2-sulfo-3-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]ethenyl]phenyl]-4H-pyrazol-4-yl]diazenyl]-4-sulfophenyl]sulfamoyl]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-2,4(9),5,7,10,12(39),13(18),14,16,20,22(27),23,25,28,30(37),31(36),32,34-octadecaene-5,14,23-trisulfonic acid;nickel
- CAS
- 72152-45-5
- CID
- 133065570
- IUPAC 名称
- hexasodium;(2Z,20Z)-32-[[3-[[3-methyl-5-oxo-1-[2-sulfo-4-[(Z)-2-[2-sulfo-3-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]ethenyl]phenyl]-4H-pyrazol-4-yl]diazenyl]-4-sulfophenyl]sulfamoyl]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-2,4(9),5,7,10,12(39),13(18),14,16,20,22(27),23,25,28,30(37),31(36),32,34-octadecaene-5,14,23-trisulfonic acid;nickel
分子属性
- 分子式
- C60H37Cl3N16Na6NiO21S7+4
- 分子量
- 1845.5 g/mol
- 精确质量
- 1841.816931 Da
- 单同位素质量
- 1841.816931 Da
- XLogP
- 暂无
- 极性表面积
- 602 Ų
- 氢键供体
- 8
- 氢键受体
- 34
- 可旋转键
- 2
- 重原子数
- 114
- 净电荷
- 4
- 结构复杂度
- 4680
结构标识
- InChIKey
- YZULMMQMLISWJT-CDLWIYHMSA-N
- SMILES
- CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC4=C3C5=NC4/N=C\6/C7=C(C=CC=C7S(=O)(=O)O)C(=NC8=NC(C9=C8C(=CC=C9)S(=O)(=O)O)/N=C\1/C2=C(C=CC=C2S(=O)(=O)O)C(=N5)[N-]1)[N-]6)S(=O)(=O)O)C1=C(C=C(C=C1)/C=C\C1=C(C(=CC=C1)NC1=C(C(=NC(=N1)Cl)Cl)Cl)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Ni]
- InChI
- InChI=1S/C60H37Cl3N16O21S7.6Na.Ni/c1-25-47(59(80)79(77-25)35-21-18-26(23-41(35)106(95,96)97)17-19-27-7-2-12-33(48(27)107(98,99)100)64-58-46(61)49(62)65-60(63)74-58)76-75-34-24-28(20-22-36(34)102(83,84)85)78-101(81,82)37-13-3-8-29-42(37)54-66-50(29)68-55-44-31(10-5-15-39(44)104(89,90)91)52(70-55)72-57-45-32(11-6-16-40(45)105(92,93)94)53(73-57)71-56-43-30(51(67-54)69-56)9-4-14-38(43)103(86,87)88;;;;;;;/h2-24,47,50,53,78H,1H3,(H7-2,64,65,66,67,68,69,70,71,72,73,74,83,84,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100);;;;;;;/q-2;6*+1;/b19-17-,76-75?;;;;;;;