OTAVA-FLUOR OTVD_0312_ChemCD

OTAVA-FLUOR OTVD_0312

basic_info
Product_Name：	OTAVA-FLUOR OTVD_0312
EnglishSynonyms：	OTAVA-FLUOR OTVD_0312
pro_mdlNumber：	MFCD10001267
pro_acceptors：	11
pro_donors：	2
pro_smile：	CC1(c2cc(ccc2[N+](=C1/C=C/C=C/C=C/3\C(c4cc(ccc4N3CCC(=O)O)S(=O)(=O)[Na])(C)C)CCC(=O)O)S(=O)(=O)[O-])C
InChi：	InChI=1S/C31H33N2O9S2.Na/c1-30(2)22-18-20(43(38)39)10-12-24(22)32(16-14-28(34)35)26(30)8-6-5-7-9-27-31(3,4)23-19-21(44(40,41)42)11-13-25(23)33(27)17-15-29(36)37;/h5-13,18-19H,14-17H2,1-4H3,(H2-,34,35,36,37,40,41,42);
InChiKey：	InChIKey=NTDLOVKHALWRAT-UHFFFAOYSA-N

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