2-[[[[4-(HEXYLOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID

pro_cas
532953-52-9
pro_cdbregno
CCD00397260
pro_formula
C21 H22 I2 N2 O4 S
pro_molWeight
652.281

basic_info

Product_Name: 2-[[[[4-(HEXYLOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID
CAS: 532953-52-9
EnglishSynonyms: BENZOIC ACID, 2-[[[[4-(HEXYLOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO- ; 2-[[[[4-(HEXYLOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID
pro_mdlNumber: MFCD03574219
pro_acceptors: 6
pro_donors: 3
pro_smile: CCCCCCOc1ccc(cc1)C(=O)NC(=S)Nc2c(cc(cc2I)I)C(=O)O
InChi: InChI=1S/C21H22I2N2O4S/c1-2-3-4-5-10-29-15-8-6-13(7-9-15)19(26)25-21(30)24-18-16(20(27)28)11-14(22)12-17(18)23/h6-9,11-12H,2-5,10H2,1H3,(H,27,28)(H2,24,25,26,30)
InChiKey: InChIKey=DAYIUYVQTQNHFS-UHFFFAOYSA-N

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