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小分子和化合物库
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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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(R,R)-(-)-2,3-丁二醇CAS号: 24347-58-8分子式: C4H10O2 分子量: 90.12IUPAC Name: (2R,3R)-butane-2,3-diolSMILES: CC(C(C)O)OInChIKey: OWBTYPJTUOEWEK-QWWZWVQMSA-NInChI: 1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1
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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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4-甲氧基肉桂酸-2-乙基己酯CAS号: 5466-77-3分子式: C18H26O3 分子量: 290.4IUPAC Name: 2-ethylhexyl (E)-3-(4-methoxyphenyl)prop-2-enoateSMILES: CCCCC(CC)COC(=O)C=CC1=CC=C(C=C1)OCInChIKey: YBGZDTIWKVFICR-JLHYYAGUSA-NInChI: 1S/C18H26O3/c1-4-6-7-15(5-2)14-21-18(19)13-10-16-8-11-17(20-3)12-9-16/h8-13,15H,4-7,14H2,1-3H3/b13-10+
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二十碳五烯酸乙酯CAS号: 86227-47-6分子式: C22H34O2 分子量: 330.51IUPAC Name: ethyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoateSMILES: CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCCInChIKey: SSQPWTVBQMWLSZ-AAQCHOMXSA-NInChI: 1S/C22H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h5-6,8-9,11-12,14-15,17-18H,3-4,7,10,13,16,19-21H2,1-2H3/b6-5-,9-8-,12-11-,15-14-,18-17-
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3,5-二甲基苯甲醛CAS号: 5779-95-3分子式: C9H10O 分子量: 134.18IUPAC Name: 3,5-dimethylbenzaldehydeSMILES: CC1=CC(=CC(=C1)C=O)CInChIKey: NBEFMISJJNGCIZ-UHFFFAOYSA-NInChI: 1S/C9H10O/c1-7-3-8(2)5-9(4-7)6-10/h3-6H,1-2H3
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2-异丙基-5-甲基茴香醚CAS号: 1076-56-8分子式: C11H16O 分子量: 164.25IUPAC Name: 2-methoxy-4-methyl-1-propan-2-ylbenzeneSMILES: CC1=CC(=C(C=C1)C(C)C)OCInChIKey: LSQXNMXDFRRDSJ-UHFFFAOYSA-NInChI: 1S/C11H16O/c1-8(2)10-6-5-9(3)7-11(10)12-4/h5-8H,1-4H3
