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小分子和化合物库
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己烯雌酚标准物质分子式: C18H20O2 分子量: 268.35IUPAC Name: 4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenolSMILES: CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)OInChIKey: RGLYKWWBQGJZGM-ISLYRVAYSA-NInChI: InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+
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2,4'-滴滴滴标准溶液分子式: C14H10Cl4 分子量: 320.04IUPAC Name: 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzeneSMILES: C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)Cl)ClInChIKey: JWBOIMRXGHLCPP-UHFFFAOYSA-NInChI: InChI=1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H
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米托丹分子式: C14H10Cl4 分子量: 320.04IUPAC Name: 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzeneSMILES: C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)Cl)ClInChIKey: JWBOIMRXGHLCPP-UHFFFAOYSA-NInChI: InChI=1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H
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己烯雌酚分子式: C18H20O2 分子量: 268.35IUPAC Name: 4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenolSMILES: CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)OInChIKey: RGLYKWWBQGJZGM-ISLYRVAYSA-NInChI: InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+
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OxybutyninCAS号 : 5633-20-5(DMSO)分子式: C22H31NO3 分子量: 357.49SMILES: CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)C2=CC=CC=C2
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去甲文拉法辛CAS号 : 93413-62-8(DMSO)分子式: C16H25NO2 分子量: 263.38SMILES: CN(C)CC(C1=CC=C(O)C=C1)C2(O)CCCCC2
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己烯雌酚CAS号 : 56-53-1(DMSO)分子式: C18H20O2 分子量: 268.35SMILES: CCC(/C1=CC=C(O)C=C1)=C(CC)\C2=CC=C(O)C=C2
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阿司咪唑CAS号 : 68844-77-9 Compound CID : 2247分子式: C28H31FN4O 分子量: 458.57IUPAC Name: 1-[(4-fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amineSMILES: COC1=CC=C(C=C1)CCN2CCC(CC2)NC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)FInChIKey: GXDALQBWZGODGZ-UHFFFAOYSA-NInChI: InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)
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度洛西汀CAS号 : 116539-59-4 Compound CID : 60835分子式: C18H19NOS 分子量: 297.42IUPAC Name: (3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amineSMILES: CNCCC(C1=CC=CS1)OC2=CC=CC3=CC=CC=C32InChIKey: ZEUITGRIYCTCEM-KRWDZBQOSA-NInChI: InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
