basic_info |
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Product_Name: | 1,8,15,22-四(苯硫醇)-29H,31H-酞菁 |
CAS: | 77492-98-9 |
中文同义词: | 1,8,15,22-四(苯硫醇)-29H,31H-酞菁 |
EnglishSynonyms: | 1,8,15,22-TETRAKIS(PHENYLTHIO)-29H,31H-PHTHALOCYANINE |
pro_mdlNumber: | MFCD00192483 |
pro_acceptors: | 8 |
pro_donors: | 2 |
pro_smile: | c1ccc(cc1)Sc2cccc\3c2/c4/[nH]/c3n\c-5n/c(n\c6c7c(cccc7Sc8ccccc8)c([nH]6)/nc/9\nc(\n4)-c1c9c(ccc1)Sc1ccccc1)/c1c5c(ccc1)Sc1ccccc1 |
InChi: | InChI=1S/C56H34N8S4/c1-5-17-33(18-6-1)65-41-29-13-25-37-45(41)53-57-49(37)62-54-47-39(27-15-31-43(47)67-35-21-9-3-10-22-35)51(59-54)64-56-48-40(28-16-32-44(48)68-36-23-11-4-12-24-36)52(60-56)63-55-46-38(50(58-55)61-53)26-14-30-42(46)66-34-19-7-2-8-20-34/h1-32H,(H2,57,58,59,60,61,62,63,64) |
InChiKey: | InChIKey=SZGLSFRWHKISCC-UHFFFAOYSA-N |
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