basic_info |
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Product_Name: | EOSIN-5-THIOUREDYLPHENYLBORONIC ACID, TRIETHYLAMMONIUM SALT |
EnglishSynonyms: | EOSIN-5-THIOUREDYLPHENYLBORONIC ACID, TRIETHYLAMMONIUM SALT |
pro_mdlNumber: | MFCD11617962 |
pro_acceptors: | 9 |
pro_donors: | 6 |
pro_smile: | B(c1ccc(cc1)NC(=S)Nc2ccc3c(c2)C4(c5cc(c(c(c5Oc6c4cc(c(c6Br)O)Br)Br)O)Br)OC3=O)(O)O.CCN(CC)CC.CCN(CC)CC |
InChi: | InChI=1S/C27H15BBr4N2O7S.2C6H15N/c29-17-8-15-23(19(31)21(17)35)40-24-16(9-18(30)22(36)20(24)32)27(15)14-7-12(5-6-13(14)25(37)41-27)34-26(42)33-11-3-1-10(2-4-11)28(38)39;2*1-4-7(5-2)6-3/h1-9,35-36,38-39H,(H2,33,34,42);2*4-6H2,1-3H3 |
InChiKey: | InChIKey=NFEXXOFSQMZJSF-UHFFFAOYSA-N |
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