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小分子和化合物库
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十二烷基双羟乙基甲基氯化铵CAS号: 22340-01-8分子式: C17H38ClNO2 分子量: 323.95IUPAC Name: dodecyl-bis(2-hydroxyethyl)-methylazanium;chlorideSMILES: CCCCCCCCCCCC[N+](C)(CCO)CCO.[Cl-]InChIKey: YBRQEOLOGGLDGM-UHFFFAOYSA-MInChI: 1S/C17H38NO2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-18(2,14-16-19)15-17-20;/h19-20H,3-17H2,1-2H3;1H/q+1;/p-1
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(4-异丁基苯基)(对甲苯基)碘鎓六氟磷酸盐 (约70%于碳酸丙烯酯中)CAS号: 344562-80-7 Compound CID : 22019765分子式: C17H20F6IP 分子量: 496.21IUPAC Name: (4-methylphenyl)-[4-(2-methylpropyl)phenyl]iodanium;hexafluorophosphateSMILES: CC1=CC=C(C=C1)[I+]C2=CC=C(C=C2)CC(C)C.F[P-](F)(F)(F)(F)FInChIKey: YNDYCGZWQZEBCS-UHFFFAOYSA-NInChI: 1S/C17H20I.F6P/c1-13(2)12-15-6-10-17(11-7-15)18-16-8-4-14(3)5-9-16;1-7(2,3,4,5)6/h4-11,13H,12H2,1-3H3;/q+1;-1
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六氟丙烯二聚体分子式: C6F12 分子量: 300.05IUPAC Name: (E)-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pent-2-eneSMILES: C(=C(C(F)(F)F)F)(C(C(F)(F)F)(C(F)(F)F)F)FInChIKey: SAPOZTRFWJZUFT-OWOJBTEDSA-NInChI: 1S/C6F12/c7-1(2(8)4(10,11)12)3(9,5(13,14)15)6(16,17)18/b2-1+
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腐植酸钾CAS号: 68514-28-3 Compound CID : 15436335分子式: C9H8K2O4 分子量: 258.35IUPAC Name: dipotassium;bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylateSMILES: C1C2C=CC1C(C2C(=O)[O-])C(=O)[O-].[K+].[K+]InChIKey: LQPNKCGIYXREIT-UHFFFAOYSA-LInChI: 1S/C9H10O4.2K/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13;;/h1-2,4-7H,3H2,(H,10,11)(H,12,13);;/q;2*+1/p-2
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檀香醇CAS号: 11031-45-1 Compound CID : 12315259分子式: C15H24O 分子量: 220.35IUPAC Name: (E)-2-methyl-5-[(1S,2S,4R)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-olSMILES: CC(=CCCC1(C2CCC(C2)C1=C)C)COInChIKey: OJYKYCDSGQGTRJ-INLOORNJSA-NInChI: 1S/C15H24O/c1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,13-14,16H,2,4,6-10H2,1,3H3/b11-5+/t13-,14+,15-/m1/s1
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蔗糖铁分子式: C18H24Fe2O24 分子量: 736.06IUPAC Name: iron(3+);(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioateSMILES: C(C(C(C(=O)[O-])O)O)(C(C(=O)[O-])O)O.C(C(C(C(=O)[O-])O)O)(C(C(=O)[O-])O)O.C(C(C(C(=O)[O-])O)O)(C(C(=O)[O-])O)O.[Fe+3].[Fe+3]InChIKey: ADQSUDSYBZBMFT-GFPJEPEZSA-HInChI: 1S/3C6H10O8.2Fe/c3*7-1(3(9)5(11)12)2(8)4(10)6(13)14;;/h3*1-4,7-10H,(H,11,12)(H,13,14);;/q;;;2*+3/p-6/t3*1-,2-,3-,4+;;/m000../s1
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β-谷甾醇分子式: C29H50O 分子量: 414.71IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olSMILES: CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)CInChIKey: KZJWDPNRJALLNS-VJSFXXLFSA-NInChI: 1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
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亚甲基蓝CAS号: 61-73-4分子式: C16H18ClN3S 分子量: 319.85IUPAC Name: [7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;chlorideSMILES: CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.[Cl-]InChIKey: CXKWCBBOMKCUKX-UHFFFAOYSA-MInChI: 1S/C16H18N3S.ClH/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;/h5-10H,1-4H3;1H/q+1;/p-1
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卵磷脂分子式: C42H80NO8P 分子量: 758.06IUPAC Name: [(2R)-3-hexadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphateSMILES: [P](=O)([O-])(OC[C@H](OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCCCCCCCC)OCC[N+](C)(C)CInChIKey: JLPULHDHAOZNQI-ZTIMHPMXSA-NInChI: See more
