FERRIC-PHTHALOCYANINE TETRASULFONATE, CHLORIDE

CAS号
CCD编号
CCD00387302
分子式
C32 H18 Fe N8 O12 S4 . Cl
分子量
926.1

基本信息

产品名称: FERRIC-PHTHALOCYANINE TETRASULFONATE, CHLORIDE
英文同义词: PCTS-FE3+, CHLORIDE ; FERRIC-PHTHALOCYANINE TETRASULFONATE, CHLORIDE
MDL号: MFCD03452665
氢键受体数量: 20
氢键供体数量: 4
Smile: c1cc-2c(c(c1)S(=O)(=O)O)/c/3n/c4c5ccc(cc5c/6n4[Fe+]n\7/c(n\c-8n/c(n6)/c9c8cc(cc9)S(=O)(=O)O)/C1C=CC(=CC1/c7n/c2n3)S(=O)(=O)O)S(=O)(=O)O.[Cl-]
InChi: InChI=1S/C32H18N8O12S4.ClH.Fe/c41-53(42,43)13-4-7-16-20(10-13)29-33-25(16)35-30-22-12-15(55(47,48)49)6-9-18(22)27(37-30)39-32-24-19(2-1-3-23(24)56(50,51)52)28(40-32)38-31-21-11-14(54(44,45)46)5-8-17(21)26(34-29)36-31;;/h1-12,17,21H,(H4-2,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52);1H;/q-2;;+3/p-1
InChiKey: InChIKey=XPERWDYUSXUNMI-UHFFFAOYSA-M

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