3,5-DIBROMO-2-[[[[(4-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID

CAS号
532388-96-8
CCD编号
CCD00396715
分子式
C16 H11 Br2 N3 O6 S
分子量
533.152

基本信息

产品名称: 3,5-DIBROMO-2-[[[[(4-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
CAS: 532388-96-8
英文同义词: 3,5-DIBROMO-2-[[[[(4-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID ; BENZOIC ACID, 3,5-DIBROMO-2-[[[[(4-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-
MDL号: MFCD03569540
氢键受体数量: 9
氢键供体数量: 3
Smile: c1cc(ccc1[N+](=O)[O-])OCC(=O)NC(=S)Nc2c(cc(cc2Br)Br)C(=O)O
InChi: InChI=1S/C16H11Br2N3O6S/c17-8-5-11(15(23)24)14(12(18)6-8)20-16(28)19-13(22)7-27-10-3-1-9(2-4-10)21(25)26/h1-6H,7H2,(H,23,24)(H2,19,20,22,28)
InChiKey: InChIKey=BWJZKJNNQQNKRQ-UHFFFAOYSA-N

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