basic_info |
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Product_Name: | 四(4-枯基苯氧基)酞菁 |
CAS: | 83484-76-8 |
中文同义词: | 四(4-枯基苯氧基)酞菁 |
EnglishSynonyms: | TETRAKIS(4-CUMYLPHENOXY)PHTHALOCYANINE |
pro_mdlNumber: | MFCD00192482 |
pro_acceptors: | 12 |
pro_donors: | 2 |
pro_smile: | CC(C)(c1ccccc1)c2ccc(cc2)Oc3ccc\4c(c3)/c5/[nH]/c4n\c-6n/c(n\c7c8cc(ccc8c([nH]7)/nc/9\nc(\n5)-c1c9cc(cc1)Oc1ccc(cc1)C(C)(C)c1ccccc1)Oc1ccc(cc1)C(C)(C)c1ccccc1)/c1c6cc(cc1)Oc1ccc(cc1)C(C)(C)c1ccccc1 |
InChi: | InChI=1S/C92H74N8O4/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)85-93-81(73)98-86-79-55-71(103-67-41-33-63(34-42-67)91(5,6)59-25-17-11-18-26-59)47-51-75(79)83(95-86)100-88-80-56-72(104-68-43-35-64(36-44-68)92(7,8)60-27-19-12-20-28-60)48-52-76(80)84(96-88)99-87-78-54-70(46-50-74(78)82(94-87)97-85)102-66-39-31-62(32-40-66)90(3,4)58-23-15-10-16-24-58/h9-56H,1-8H3,(H2,93,94,95,96,97,98,99,100) |
InChiKey: | InChIKey=WSMFVFRKDITEGM-UHFFFAOYSA-N |
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