3,5-DIIODO-2-[[[(4-METHOXY-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID

pro_cas
533919-29-8
pro_cdbregno
CCD00396636
pro_formula
C16 H11 I2 N3 O6 S
pro_molWeight
627.144

basic_info

Product_Name: 3,5-DIIODO-2-[[[(4-METHOXY-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
CAS: 533919-29-8
EnglishSynonyms: BENZOIC ACID, 3,5-DIIODO-2-[[[(4-METHOXY-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]- ; 3,5-DIIODO-2-[[[(4-METHOXY-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
pro_mdlNumber: MFCD03568896
pro_acceptors: 9
pro_donors: 3
pro_smile: COc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc2c(cc(cc2I)I)C(=O)O
InChi: InChI=1S/C16H11I2N3O6S/c1-27-12-3-2-7(4-11(12)21(25)26)14(22)20-16(28)19-13-9(15(23)24)5-8(17)6-10(13)18/h2-6H,1H3,(H,23,24)(H2,19,20,22,28)
InChiKey: InChIKey=KBSOGCRSLHHXBY-UHFFFAOYSA-N

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