石榴提取物
6-[6-[(2-tert-butyl-7-chloro-1,3-benzothiazol-6-yl)oxy]-3-pyridinyl]-4-methylhex-5-en-2-one;6-[6-[(6-chloro-2,3-dihydro-1-benzofuran-5-yl)oxy]-3-pyridinyl]-4-methylhex-5-en-2-one;6-[6-[(5-chloro-2-ethyl-1,3-benzothiazol-6-yl)oxy]-3-pyridinyl]-4-methylhex-5-en-2-one;6-[6-[(4-chloro-2-methyl-1,3-benzothiazol-5-yl)oxy]-3-pyridinyl]-4-methylhex-5-en-2-one;6-[6-[(5-chloro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]-3-pyridinyl]-4-methylhex-5-en-2-one;6-[6-[[7-chloro-2-(trifluoromethyl)-1,3-benzothiazol-6-yl]oxy]-3-pyridinyl]-4-methylhex-5-en-2-one;6-[6-[(2,2-dimethyl-3H-1-benzofuran-5-yl)oxy]-3-pyridinyl]-4-methylhex-5-en-2-one;4-methyl-6-[6-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-pyridinyl]hex-5-en-2-one;4-methyl-6-[6-[[2-(trifluoromethyl)-1,3-benzothiazol-6-yl]oxy]-3-pyridinyl]hex-5-en-2-one · CAS 84961-57-9
- 中文名
- 石榴提取物
- 中文别名
- 暂无
- 英文名
- 6-[6-[(2-tert-butyl-7-chloro-1,3-benzothiazol-6-yl)oxy]-3-pyridinyl]-4-methylhex-5-en-2-one;6-[6-[(6-chloro-2,3-dihydro-1-benzofuran-5-yl)oxy]-3-pyridinyl]-4-methylhex-5-en-2-one;6-[6-[(5-chloro-2-ethyl-1,3-benzothiazol-6-yl)oxy]-3-pyridinyl]-4-methylhex-5-en-2-one;6-[6-[(4-chloro-2-methyl-1,3-benzothiazol-5-yl)oxy]-3-pyridinyl]-4-methylhex-5-en-2-one;6-[6-[(5-chloro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]-3-pyridinyl]-4-methylhex-5-en-2-one;6-[6-[[7-chloro-2-(trifluoromethyl)-1,3-benzothiazol-6-yl]oxy]-3-pyridinyl]-4-methylhex-5-en-2-one;6-[6-[(2,2-dimethyl-3H-1-benzofuran-5-yl)oxy]-3-pyridinyl]-4-methylhex-5-en-2-one;4-methyl-6-[6-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-pyridinyl]hex-5-en-2-one;4-methyl-6-[6-[[2-(trifluoromethyl)-1,3-benzothiazol-6-yl]oxy]-3-pyridinyl]hex-5-en-2-one
- CAS
- 84961-57-9
- CID
- 168009843
- IUPAC 名称
- 6-[6-[(2-tert-butyl-7-chloro-1,3-benzothiazol-6-yl)oxy]-3-pyridinyl]-4-methylhex-5-en-2-one;6-[6-[(6-chloro-2,3-dihydro-1-benzofuran-5-yl)oxy]-3-pyridinyl]-4-methylhex-5-en-2-one;6-[6-[(5-chloro-2-ethyl-1,3-benzothiazol-6-yl)oxy]-3-pyridinyl]-4-methylhex-5-en-2-one;6-[6-[(4-chloro-2-methyl-1,3-benzothiazol-5-yl)oxy]-3-pyridinyl]-4-methylhex-5-en-2-one;6-[6-[(5-chloro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]-3-pyridinyl]-4-methylhex-5-en-2-one;6-[6-[[7-chloro-2-(trifluoromethyl)-1,3-benzothiazol-6-yl]oxy]-3-pyridinyl]-4-methylhex-5-en-2-one;6-[6-[(2,2-dimethyl-3H-1-benzofuran-5-yl)oxy]-3-pyridinyl]-4-methylhex-5-en-2-one;4-methyl-6-[6-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-pyridinyl]hex-5-en-2-one;4-methyl-6-[6-[[2-(trifluoromethyl)-1,3-benzothiazol-6-yl]oxy]-3-pyridinyl]hex-5-en-2-one
名称与编号
- 中文名
- 石榴提取物
- 中文别名
- 暂无
- 英文名
- 6-[6-[(2-tert-butyl-7-chloro-1,3-benzothiazol-6-yl)oxy]-3-pyridinyl]-4-methylhex-5-en-2-one;6-[6-[(6-chloro-2,3-dihydro-1-benzofuran-5-yl)oxy]-3-pyridinyl]-4-methylhex-5-en-2-one;6-[6-[(5-chloro-2-ethyl-1,3-benzothiazol-6-yl)oxy]-3-pyridinyl]-4-methylhex-5-en-2-one;6-[6-[(4-chloro-2-methyl-1,3-benzothiazol-5-yl)oxy]-3-pyridinyl]-4-methylhex-5-en-2-one;6-[6-[(5-chloro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]-3-pyridinyl]-4-methylhex-5-en-2-one;6-[6-[[7-chloro-2-(trifluoromethyl)-1,3-benzothiazol-6-yl]oxy]-3-pyridinyl]-4-methylhex-5-en-2-one;6-[6-[(2,2-dimethyl-3H-1-benzofuran-5-yl)oxy]-3-pyridinyl]-4-methylhex-5-en-2-one;4-methyl-6-[6-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-pyridinyl]hex-5-en-2-one;4-methyl-6-[6-[[2-(trifluoromethyl)-1,3-benzothiazol-6-yl]oxy]-3-pyridinyl]hex-5-en-2-one
- CAS
- 84961-57-9
- CID
- 168009843
- IUPAC 名称
- 6-[6-[(2-tert-butyl-7-chloro-1,3-benzothiazol-6-yl)oxy]-3-pyridinyl]-4-methylhex-5-en-2-one;6-[6-[(6-chloro-2,3-dihydro-1-benzofuran-5-yl)oxy]-3-pyridinyl]-4-methylhex-5-en-2-one;6-[6-[(5-chloro-2-ethyl-1,3-benzothiazol-6-yl)oxy]-3-pyridinyl]-4-methylhex-5-en-2-one;6-[6-[(4-chloro-2-methyl-1,3-benzothiazol-5-yl)oxy]-3-pyridinyl]-4-methylhex-5-en-2-one;6-[6-[(5-chloro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]-3-pyridinyl]-4-methylhex-5-en-2-one;6-[6-[[7-chloro-2-(trifluoromethyl)-1,3-benzothiazol-6-yl]oxy]-3-pyridinyl]-4-methylhex-5-en-2-one;6-[6-[(2,2-dimethyl-3H-1-benzofuran-5-yl)oxy]-3-pyridinyl]-4-methylhex-5-en-2-one;4-methyl-6-[6-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-pyridinyl]hex-5-en-2-one;4-methyl-6-[6-[[2-(trifluoromethyl)-1,3-benzothiazol-6-yl]oxy]-3-pyridinyl]hex-5-en-2-one
同一物质的其他登记号
同一化合物在 CAS 登记体系中可能有多个登记号，均属官方正式登记。以下 2 个编号（PubChem CID 168009843）指向同一物质，可逐一核对——编号写法不同，但化学结构相同。
分子属性
- 分子式
- C188H186Cl6F6N16O20S7
- 分子量
- 3541 g/mol
- 精确质量
- 3539.014725 Da
- 单同位素质量
- 3535.010966 Da
- XLogP
- 暂无
- 极性表面积
- 659 Ų
- 氢键供体
- 0
- 氢键受体
- 49
- 可旋转键
- 57
- 重原子数
- 243
- 净电荷
- 0
- 结构复杂度
- 4870
结构标识
- InChIKey
- RCQNLJMYGQGELQ-UHFFFAOYSA-N
- SMILES
- CCC1=NC2=CC(=C(C=C2S1)OC3=NC=C(C=C3)C=CC(C)CC(=O)C)Cl.CC1=NC2=C(S1)C=CC(=C2)OC3=NC=C(C=C3)C=CC(C)CC(=O)C.CC1=NC2=C(S1)C=CC(=C2Cl)OC3=NC=C(C=C3)C=CC(C)CC(=O)C.CC(C)C1=NC2=CC(=C(C=C2S1)OC3=NC=C(C=C3)C=CC(C)CC(=O)C)Cl.CC(CC(=O)C)C=CC1=CN=C(C=C1)OC2=CC3=C(C=C2)OC(C3)(C)C.CC(CC(=O)C)C=CC1=CN=C(C=C1)OC2=CC3=C(C=C2)N=C(S3)C(F)(F)F.CC(CC(=O)C)C=CC1=CN=C(C=C1)OC2=C(C3=C(C=C2)N=C(S3)C(C)(C)C)Cl.CC(CC(=O)C)C
- InChI
- InChI=1S/C23H25ClN2O2S.C22H23ClN2O2S.C22H25NO3.C21H21ClN2O2S.C20H16ClF3N2O2S.C20H19ClN2O2S.C20H20ClNO3.C20H17F3N2O2S.C20H20N2O2S/c1-14(12-15(2)27)6-7-16-8-11-19(25-13-16)28-18-10-9-17-21(20(18)24)29-22(26-17)23(3,4)5;1-13(2)22-25-18-10-17(23)19(11-20(18)28-22)27-21-8-7-16(12-24-21)6-5-14(3)9-15(4)26;1-15(11-16(2)24)5-6-17-7-10-21(23-14-17)25-19-8-9-20-18(12-19)13-22(3,4)26-20;1-4-21-24-17-10-16(22)18(11-19(17)27-21)26-20-8-7-15(12-23-20)6-5-13(2)9-14(3)25;1-11(9-12(2)27)3-4-13-5-8-16(25-10-13)28-15-7-6-14-18(17(15)21)29-19(26-14)20(22,23)24;1-12(10-13(2)24)4-5-15-6-9-18(22-11-15)25-16-7-8-17-20(19(16)21)23-14(3)26-17;1-13(9-14(2)23)3-4-15-5-6-20(22-12-15)25-19-10-16-7-8-24-18(16)11-17(19)21;1-12(9-13(2)26)3-4-14-5-8-18(24-11-14)27-15-6-7-16-17(10-15)28-19(25-16)20(21,22)23;1-13(10-14(2)23)4-5-16-6-9-20(21-12-16)24-17-7-8-19-18(11-17)22-15(3)25-19/h6-11,13-14H,12H2,1-5H3;5-8,10-14H,9H2,1-4H3;5-10,12,14-15H,11,13H2,1-4H3;5-8,10-13H,4,9H2,1-3H3;3-8,10-11H,9H2,1-2H3;4-9,11-12H,10H2,1-3H3;3-6,10-13H,7-9H2,1-2H3;3-