basic_info |
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Product_Name: | 四(4-枯基苯氧基)酞菁镍(II) |
CAS: | 93530-46-2 |
中文同义词: | 四(4-枯基苯氧基)酞菁镍(II) |
EnglishSynonyms: | NICKEL(II) TETRAKIS(4-CUMYLPHENOXY)PHTHALOCYANINE |
pro_mdlNumber: | MFCD00192347 |
pro_acceptors: | 12 |
pro_donors: | 0 |
pro_smile: | CC(C)(c1ccccc1)c2ccc(cc2)Oc3ccc\4c(c3)/c/5n/c-6n/c(n\c7c8cc(ccc8c/9n7[Ni]n5/c4n\c-1n/c(n9)/c2c1ccc(c2)Oc1ccc(cc1)C(C)(C)c1ccccc1)Oc1ccc(cc1)C(C)(C)c1ccccc1)/c1c6ccc(c1)Oc1ccc(cc1)C(C)(C)c1ccccc1 |
InChi: | InChI=1S/C92H72N8O4.Ni/c1-89(2,57-21-13-9-14-22-57)61-29-37-65(38-30-61)101-69-45-49-73-77(53-69)85-94-81(73)93-82-74-50-46-70(102-66-39-31-62(32-40-66)90(3,4)58-23-15-10-16-24-58)54-78(74)86(95-82)97-84-76-52-48-72(104-68-43-35-64(36-44-68)92(7,8)60-27-19-12-20-28-60)56-80(76)88(99-84)100-87-79-55-71(47-51-75(79)83(96-85)98-87)103-67-41-33-63(34-42-67)91(5,6)59-25-17-11-18-26-59;/h9-56H,1-8H3;/q-2;+2 |
InChiKey: | InChIKey=RVQMDOFYXGAAAO-UHFFFAOYSA-N |
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