小分子和化合物库
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1-乙酰氧基-2-甲氧基-4-[(E)-1-丙烯基]苯CAS号: 5912-87-8分子式: C12H14O3 分子量: 206.24IUPAC Name: [2-methoxy-4-[(E)-prop-1-enyl]phenyl] acetateSMILES: CC=CC1=CC(=C(C=C1)OC(=O)C)OCInChIKey: IUSBVFZKQJGVEP-SNAWJCMRSA-NInChI: 1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4-8H,1-3H3/b5-4+
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比拉斯汀CAS号: 202189-78-4分子式: C28H37N3O3 分子量: 463.62IUPAC Name: 2-[4-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoic acidSMILES: CCOCCN1C2=CC=CC=C2N=C1C3CCN(CC3)CCC4=CC=C(C=C4)C(C)(C)C(=O)OInChIKey: ACCMWZWAEFYUGZ-UHFFFAOYSA-NInChI: 1S/C28H37N3O3/c1-4-34-20-19-31-25-8-6-5-7-24(25)29-26(31)22-14-17-30(18-15-22)16-13-21-9-11-23(12-10-21)28(2,3)27(32)33/h5-12,22H,4,13-20H2,1-3H3,(H,32,33)
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八甘醇单十二烷基醚CAS号: 3055-98-9分子式: CH3(CH2)11(OCH2CH2)8OH 分子量: 538.75IUPAC Name: 2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanolSMILES: CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOInChIKey: YYELLDKEOUKVIQ-UHFFFAOYSA-NInChI: 1S/C28H58O9/c1-2-3-4-5-6-7-8-9-10-11-13-30-15-17-32-19-21-34-23-25-36-27-28-37-26-24-35-22-20-33-18-16-31-14-12-29/h29H,2-28H2,1H3
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花生四烯酸乙酯CAS号: 1808-26-0分子式: C22H36O2 分子量: 332.52IUPAC Name: ethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoateSMILES: CCCCCC=CCC=CCC=CCC=CCCCC(=O)OCCInChIKey: SNXPWYFWAZVIAU-GKFVBPDJSA-NInChI: InChI=1S/C22H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h8-9,11-12,14-15,17-18H,3-7,10,13,16,19-21H2,1-2H3/b9-8-,12-11-,15-14-,18-17-
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