VITAS-BB TBB017434

pro_cas
pro_cdbregno
CCD00217778
pro_formula
C22H24N2O5S
pro_molWeight
428.507

basic_info

Product_Name: VITAS-BB TBB017434
EnglishSynonyms: VITAS-BB TBB017434
pro_mdlNumber: MFCD01346090
pro_acceptors: 7
pro_donors: 1
pro_smile: CCOC(=O)C1=C(NC(=O)\C=C\C2=CC=C(C=C2)[N+]([O-])=O)SC2=C1CCC(CC)C2
InChi: InChI=1S/C22H24N2O5S/c1-3-14-7-11-17-18(13-14)30-21(20(17)22(26)29-4-2)23-19(25)12-8-15-5-9-16(10-6-15)24(27)28/h5-6,8-10,12,14H,3-4,7,11,13H2,1-2H3,(H,23,25)/b12-8+
InChiKey: InChIKey=NJWLSFPWOSIAFY-XYOKQWHBSA-N

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