5-IODO-2-[[[(4-METHYL-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID

CAS号
530155-23-8
CCD编号
CCD00396238
分子式
C16 H12 I N3 O5 S
分子量
485.253

基本信息

产品名称: 5-IODO-2-[[[(4-METHYL-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
CAS: 530155-23-8
英文同义词: BENZOIC ACID, 5-IODO-2-[[[(4-METHYL-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]- ; 5-IODO-2-[[[(4-METHYL-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
MDL号: MFCD03565329
氢键受体数量: 8
氢键供体数量: 3
Smile: Cc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc2ccc(cc2C(=O)O)I
InChi: InChI=1S/C16H12IN3O5S/c1-8-2-3-9(6-13(8)20(24)25)14(21)19-16(26)18-12-5-4-10(17)7-11(12)15(22)23/h2-7H,1H3,(H,22,23)(H2,18,19,21,26)
InChiKey: InChIKey=JVOUUAZKVOBWDX-UHFFFAOYSA-N

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