OTAVA-FLUOR OTVD_0279

pro_cas
pro_cdbregno
CCD00911726
pro_formula
C27 H29 N2 O2 S2 . C7 H7 O3 S
pro_molWeight
648.865

basic_info

Product_Name: OTAVA-FLUOR OTVD_0279
EnglishSynonyms: OTAVA-FLUOR OTVD_0279
pro_mdlNumber: MFCD10001236
pro_acceptors: 4
pro_donors: 0
pro_smile: CC[n+]1c2ccc(cc2sc1/C=C/3\CCC(=C3)/C=C\4/N(c5ccc(cc5S4)OC)CC)OC.Cc1ccc(cc1)S(=O)(=O)[O-]
InChi: InChI=1S/C27H29N2O2S2.C7H8O3S/c1-5-28-22-11-9-20(30-3)16-24(22)32-26(28)14-18-7-8-19(13-18)15-27-29(6-2)23-12-10-21(31-4)17-25(23)33-27;1-6-2-4-7(5-3-6)11(8,9)10/h9-17H,5-8H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChiKey: InChIKey=FFTPVKYXCYVBFR-UHFFFAOYSA-M

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