3,5-DINITRO-N,N',N''-TRIS(2,4,6-TRINITROPHENYL)-2,4,6-PYRIDINETRIAMINE

CAS号
39873-72-8
CCD编号
CCD02755131
分子式
C22 H8 N16 O22
分子量
848.395

基本信息

产品名称: 3,5-DINITRO-N,N',N''-TRIS(2,4,6-TRINITROPHENYL)-2,4,6-PYRIDINETRIAMINE
CAS: 39873-72-8
英文同义词: 3,5-DINITRO-N,N',N''-TRIS(2,4,6-TRINITROPHENYL)-2,4,6-PYRIDINETRIAMINE ; DNTPAP
MDL号: MFCD16293967
氢键受体数量: 38
氢键供体数量: 3
Smile: c1c(cc(c(c1[N+](=O)[O-])Nc2c(c(c(c(n2)Nc3c(cc(cc3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])Nc4c(cc(nc4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChi: InChI=1S/C22H8N16O22/c39-28(40)6-1-8(30(43)44)14(9(2-6)31(45)46)25-20-18(36(55)56)17(24-16-12(34(51)52)5-13(35(53)54)23-22(16)38(59)60)19(37(57)58)21(27-20)26-15-10(32(47)48)3-7(29(41)42)4-11(15)33(49)50/h1-5H,(H3,24,25,26,27)
InChiKey: InChIKey=DTFJBNONMWLNHU-UHFFFAOYSA-N

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