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小分子和化合物库
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水合硝酸铝CAS号: 25838-59-9分子式: Al(NO3)3·xH2O 分子量: 212.99(anhy)IUPAC Name: aluminum;trinitrate;hydrateSMILES: [N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.[Al+3]InChIKey: ZZCONUBOESKGOK-UHFFFAOYSA-NInChI: 1S/Al.3NO3.H2O/c;3*2-1(3)4;/h;;;;1H2/q+3;3*-1;
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雷奈酸锶分子式: C12H6N2O8SSr2 分子量: 513.49IUPAC Name: distrontium;5-[bis(carboxylatomethyl)amino]-3-(carboxylatomethyl)-4-cyanothiophene-2-carboxylateSMILES: C(C1=C(SC(=C1C#N)N(CC(=O)[O-])CC(=O)[O-])C(=O)[O-])C(=O)[O-].[Sr+2].[Sr+2]InChIKey: XXUZFRDUEGQHOV-UHFFFAOYSA-JInChI: 1S/C12H10N2O8S.2Sr/c13-2-6-5(1-7(15)16)10(12(21)22)23-11(6)14(3-8(17)18)4-9(19)20;;/h1,3-4H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22);;/q;2*+2/p-4
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Coralyne chloride分子式: C22H22ClNO4 分子量: 399.87IUPAC Name: 2,3,10,11-tetramethoxy-8-methylisoquinolino[2,1-b]isoquinolin-7-ium;chlorideSMILES: CC1=C2C=C(C(=CC2=CC3=[N+]1C=CC4=CC(=C(C=C43)OC)OC)OC)OC.[Cl-]InChIKey: PDYBUYVOPAJLKP-UHFFFAOYSA-MInChI: 1S/C22H22NO4.ClH/c1-13-16-11-21(26-4)20(25-3)10-15(16)8-18-17-12-22(27-5)19(24-2)9-14(17)6-7-23(13)18;/h6-12H,1-5H3;1H/q+1;/p-1
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1,2-二油酰基-sn-甘油-3-磷酸乙醇胺-N-(生物素)(钠盐)CAS号: 384835-53-4 Compound CID : 156593867分子式: C51H92N3NaO10PS 分子量: 993.3SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2)OC(=O)CCCCCCCC=CCCCCCCCC.[Na]InChIKey: BQZBJHZLJJOUSL-AOAFAMOJSA-NInChI: See more
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乙二胺四乙酸二钠,二水分子式: C10H14N2Na2O8·2H2O 分子量: 372.24IUPAC Name: disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;dihydrateSMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)O.O.O.[Na+].[Na+]InChIKey: OVBJJZOQPCKUOR-UHFFFAOYSA-LInChI: 1S/C10H16N2O8.2Na.2H2O/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;2*1H2/q;2*+1;;/p-2
