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

CAS号
535976-94-4
CCD编号
CCD00397113
分子式
C18 H16 Br2 N2 O4 S
分子量
516.208

基本信息

产品名称: 3,5-DIBROMO-2-[[[[(3,5-DIMETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
CAS: 535976-94-4
英文同义词: BENZOIC ACID, 3,5-DIBROMO-2-[[[[(3,5-DIMETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]- ; 3,5-DIBROMO-2-[[[[(3,5-DIMETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
MDL号: MFCD03573022
氢键受体数量: 6
氢键供体数量: 3
Smile: Cc1cc(cc(c1)OCC(=O)NC(=S)Nc2c(cc(cc2Br)Br)C(=O)O)C
InChi: InChI=1S/C18H16Br2N2O4S/c1-9-3-10(2)5-12(4-9)26-8-15(23)21-18(27)22-16-13(17(24)25)6-11(19)7-14(16)20/h3-7H,8H2,1-2H3,(H,24,25)(H2,21,22,23,27)
InChiKey: InChIKey=UFMBGNXQRKBVRB-UHFFFAOYSA-N

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