3,5-DIBROMO-2-[[[[3-(5-BROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID

pro_cas
535980-07-5
pro_cdbregno
CCD00397150
pro_formula
C18 H13 Br3 N2 O4 S
pro_molWeight
593.089

basic_info

Product_Name: 3,5-DIBROMO-2-[[[[3-(5-BROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
CAS: 535980-07-5
EnglishSynonyms: BENZOIC ACID, 3,5-DIBROMO-2-[[[[3-(5-BROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]- ; 3,5-DIBROMO-2-[[[[3-(5-BROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
pro_mdlNumber: MFCD03573292
pro_acceptors: 6
pro_donors: 3
pro_smile: COc1ccc(cc1/C=C/C(=O)NC(=S)Nc2c(cc(cc2Br)Br)C(=O)O)Br
InChi: InChI=1S/C18H13Br3N2O4S/c1-27-14-4-3-10(19)6-9(14)2-5-15(24)22-18(28)23-16-12(17(25)26)7-11(20)8-13(16)21/h2-8H,1H3,(H,25,26)(H2,22,23,24,28)/b5-2+
InChiKey: InChIKey=QPQHODCABVZDTF-GORDUTHDSA-N

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