4,4',4''-[NITRILOTRIS(METHYLENE-1H-1,2,3-TRIAZOLE-4,1-DIYLMETHYLENE)]TRISBENZOIC ACID

CAS号
1093949-56-4
CCD编号
CCD08283624
分子式
C33 H30 N10 O6
分子量
662.664

基本信息

产品名称: 4,4',4''-[NITRILOTRIS(METHYLENE-1H-1,2,3-TRIAZOLE-4,1-DIYLMETHYLENE)]TRISBENZOIC ACID
CAS: 1093949-56-4
英文同义词: 4,4',4''-[NITRILOTRIS(METHYLENE-1H-1,2,3-TRIAZOLE-4,1-DIYLMETHYLENE)]TRISBENZOIC ACID
MDL号: MFCD23380185
氢键受体数量: 16
氢键供体数量: 3
Smile: c1cc(ccc1Cn2cc(nn2)CN(Cc3cn(nn3)Cc4ccc(cc4)C(=O)O)Cc5cn(nn5)Cc6ccc(cc6)C(=O)O)C(=O)O
InChi: InChI=1S/C33H30N10O6/c44-31(45)25-7-1-22(2-8-25)13-41-19-28(34-37-41)16-40(17-29-20-42(38-35-29)14-23-3-9-26(10-4-23)32(46)47)18-30-21-43(39-36-30)15-24-5-11-27(12-6-24)33(48)49/h1-12,19-21H,13-18H2,(H,44,45)(H,46,47)(H,48,49)
InChiKey: InChIKey=DCCGIRVIZKNLTQ-UHFFFAOYSA-N

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