2-[[[[(4-BROMOPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID

CAS号
531515-49-8
CCD编号
CCD00396256
分子式
C16 H11 Br I2 N2 O4 S
分子量
661.043

基本信息

产品名称: 2-[[[[(4-BROMOPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID
CAS: 531515-49-8
英文同义词: BENZOIC ACID, 2-[[[[(4-BROMOPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO- ; 2-[[[[(4-BROMOPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID
MDL号: MFCD03565488
氢键受体数量: 6
氢键供体数量: 3
Smile: c1cc(ccc1OCC(=O)NC(=S)Nc2c(cc(cc2I)I)C(=O)O)Br
InChi: InChI=1S/C16H11BrI2N2O4S/c17-8-1-3-10(4-2-8)25-7-13(22)20-16(26)21-14-11(15(23)24)5-9(18)6-12(14)19/h1-6H,7H2,(H,23,24)(H2,20,21,22,26)
InChiKey: InChIKey=BXQLQGSFAAWUKP-UHFFFAOYSA-N

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