OTAVA-FLUOR OTVD_0320_ChemCD

OTAVA-FLUOR OTVD_0320

basic_info
Product_Name：	OTAVA-FLUOR OTVD_0320
EnglishSynonyms：	OTAVA-FLUOR OTVD_0320
pro_mdlNumber：	MFCD10001273
pro_acceptors：	10
pro_donors：	2
pro_smile：	CC\1(c2c3ccccc3ccc2N(/C1=C/C4=C(/C(=C/C5=[N+](c6ccc7ccccc7c6C5(C)C)CCCCS(=O)(=O)O)/C4=O)[O-])CCCCS(=O)(=O)O)C.c1ccncc1.c1ccncc1
InChi：	InChI=1S/C42H44N2O8S2.2C5H5N/c1-41(2)35(43(21-9-11-23-53(47,48)49)33-19-17-27-13-5-7-15-29(27)37(33)41)25-31-39(45)32(40(31)46)26-36-42(3,4)38-30-16-8-6-14-28(30)18-20-34(38)44(36)22-10-12-24-54(50,51)52;21-2-4-6-5-3-1/h5-8,13-20,25-26H,9-12,21-24H2,1-4H3,(H2-,45,46,47,48,49,50,51,52);21-5H
InChiKey：	InChIKey=AJUJWHGHKMYJRZ-UHFFFAOYSA-N

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