二(2-甲基辛基)邻苯二甲酸酯

pro_cas
70793-10-1
pro_cdbregno
CCD04012193
pro_formula
C21 H16 O12
pro_molWeight
460.345

basic_info

Product_Name: 二(2-甲基辛基)邻苯二甲酸酯
CAS: 70793-10-1
中文同义词: 二(2-甲基辛基)邻苯二甲酸酯
EnglishSynonyms: RHEIN 8-BETA-D-GLUCURONIDE
pro_mdlNumber: MFCD18252558
pro_acceptors: 12
pro_donors: 6
pro_smile: c1cc2c(c(c1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C(=O)c4c(cc(cc4O)C(=O)O)C2=O
InChi: InChI=1S/C21H16O12/c22-9-5-6(19(28)29)4-8-11(9)14(24)12-7(13(8)23)2-1-3-10(12)32-21-17(27)15(25)16(26)18(33-21)20(30)31/h1-5,15-18,21-22,25-27H,(H,28,29)(H,30,31)/t15-,16-,17+,18-,21+/m0/s1
InChiKey: InChIKey=PCIJYIRYSXMDQB-HUTLKBDOSA-N

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