小分子和化合物库
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7-异丙基-1,4-二甲基甘菊环-3-磺酸钠分子式: C15H17NaO3S 分子量: 300.35IUPAC Name: sodium;3,8-dimethyl-5-propan-2-ylazulene-1-sulfonateSMILES: CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)S(=O)(=O)[O-].[Na+]InChIKey: GEYJUFBPCGDENK-UHFFFAOYSA-MInChI: 1S/C15H18O3S.Na/c1-9(2)12-6-5-10(3)15-13(8-12)11(4)7-14(15)19(16,17)18;/h5-9H,1-4H3,(H,16,17,18);/q;+1/p-1
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匹可硫酸钠一水合物CAS号: 1307301-38-7 Compound CID : 5282431分子式: C18H13NNa2O8S2·H2O 分子量: 481.4IUPAC Name: disodium;[4-[pyridin-2-yl-(4-sulfonatooxyphenyl)methyl]phenyl] sulfate;hydrateSMILES: C1=CC=NC(=C1)C(C2=CC=C(C=C2)OS(=O)(=O)[O-])C3=CC=C(C=C3)OS(=O)(=O)[O-].O.[Na+].[Na+]InChIKey: FHYUVJHZGPGDSP-UHFFFAOYSA-LInChI: 1S/C18H15NO8S2.2Na.H2O/c20-28(21,22)26-15-8-4-13(5-9-15)18(17-3-1-2-12-19-17)14-6-10-16(11-7-14)27-29(23,24)25;;;/h1-12,18H,(H,20,21,22)(H,23,24,25);;;1H2/q;2*+1;/p-2
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Se-(甲基)硒基-L-半胱氨酸CAS号: 26046-90-2 Compound CID : 147004分子式: C4H9NO2Se 分子量: 182.08IUPAC Name: (2R)-2-amino-3-methylselanylpropanoic acidSMILES: C[Se]CC(C(=O)O)NInChIKey: XDSSPSLGNGIIHP-VKHMYHEASA-NInChI: 1S/C4H9NO2Se/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
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S-(羧甲基)-L-半胱氨酸分子式: C5H9NO4S 分子量: 179.19IUPAC Name: (2R)-2-amino-3-(carboxymethylsulfanyl)propanoic acidSMILES: N[C@@H](CSCC(O)=O)C(O)=OInChIKey: GBFLZEXEOZUWRN-VKHMYHEASA-NInChI: 1S/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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三辛酸甘油酯CAS号: 538-23-8分子式: C27H50O6 分子量: 470.69IUPAC Name: 2,3-di(octanoyloxy)propyl octanoateSMILES: CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCCInChIKey: VLPFTAMPNXLGLX-UHFFFAOYSA-NInChI: 1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3
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三氟拉嗪二盐酸盐分子式: C21H24F3N3S·2HCl 分子量: 480.42IUPAC Name: 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;dihydrochlorideSMILES: CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F.Cl.ClInChIKey: BXDAOUXDMHXPDI-UHFFFAOYSA-NInChI: 1S/C21H24F3N3S.2ClH/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24;;/h2-3,5-8,15H,4,9-14H2,1H3;2*1H
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(+)-萜品-4-醇CAS号: 2438-10-0分子式: C10H18O 分子量: 154.25IUPAC Name: (1S)-4-methyl-1-propan-2-ylcyclohex-3-en-1-olSMILES: CC1=CCC(CC1)(C(C)C)OInChIKey: WRYLYDPHFGVWKC-SNVBAGLBSA-NInChI: 1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3/t10-/m1/s1
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