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

CAS号
530148-99-3
CCD编号
CCD00396181
分子式
C18 H12 Br4 N2 O4 S
分子量
671.985

基本信息

产品名称: 3,5-DIBROMO-2-[[[[3-(3,5-DIBROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
CAS: 530148-99-3
英文同义词: 3,5-DIBROMO-2-[[[[3-(3,5-DIBROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID ; BENZOIC ACID, 3,5-DIBROMO-2-[[[[3-(3,5-DIBROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-
MDL号: MFCD03564899
氢键受体数量: 6
氢键供体数量: 3
Smile: COc1c(cc(cc1Br)Br)/C=C/C(=O)NC(=S)Nc2c(cc(cc2Br)Br)C(=O)O
InChi: InChI=1S/C18H12Br4N2O4S/c1-28-16-8(4-9(19)7-13(16)22)2-3-14(25)23-18(29)24-15-11(17(26)27)5-10(20)6-12(15)21/h2-7H,1H3,(H,26,27)(H2,23,24,25,29)/b3-2+
InChiKey: InChIKey=XUVGFQMJJXKSFX-NSCUHMNNSA-N

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