basic_info |
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| Product_Name: | 6'-甲氧基-1',2'-二氢辛可烷-2',9-二酮 |
| CAS: | 28706-25-4 |
| 中文同义词: | 6'-甲氧基-1',2'-二氢辛可烷-2',9-二酮 |
| EnglishSynonyms: | TETRASODIUM 7,7'-(CARBONYLDIIMINO)BIS[4-HYDROXY-3-[(6-SULPHONATO-2-NAPHTHYL)AZO]NAPHTHALENE-2-SULPHONATE] |
| pro_mdlNumber: | MFCD23160478 |
| pro_acceptors: | 21 |
| pro_donors: | 4 |
| pro_smile: | c1cc(cc2c1cc(cc2)S(=O)(=O)[O-])/N=N/c3c(cc4cc(ccc4c3O)NC(=O)Nc5ccc6c(c5)cc(c(c6O)/N=N/c7ccc8cc(ccc8c7)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
| InChi: | InChI=1S/C41H28N6O15S4.4Na/c48-39-33-11-7-27(15-25(33)19-35(65(57,58)59)37(39)46-44-29-5-1-23-17-31(63(51,52)53)9-3-21(23)13-29)42-41(50)43-28-8-12-34-26(16-28)20-36(66(60,61)62)38(40(34)49)47-45-30-6-2-24-18-32(64(54,55)56)10-4-22(24)14-30;;;;/h1-20,48-49H,(H2,42,43,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;/q;4*+1/p-4/b46-44+,47-45+;;;; |
| InChiKey: | InChIKey=VDOGYBKHFWFTCJ-CVTWRWBISA-J |
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