小分子和化合物库
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2-氧代戊二酸二甲酯CAS号: 13192-04-6分子式: C7H10O5 分子量: 174.15IUPAC Name: dimethyl 2-oxopentanedioateSMILES: COC(=O)CCC(=O)C(=O)OCInChIKey: TXIXSLPEABAEHP-UHFFFAOYSA-NInChI: 1S/C7H10O5/c1-11-6(9)4-3-5(8)7(10)12-2/h3-4H2,1-2H3
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正辛酸胆固醇酯CAS号: 1182-42-9分子式: C35H60O2 分子量: 512.86IUPAC Name: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] octanoateSMILES: CCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)CInChIKey: SKLBBRQPVZDTNM-SJTWHRLHSA-NInChI: See more
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金合欢醇乙酸酯 (异构体混合物)CAS号: 29548-30-9分子式: C17H28O2 分子量: 264.41IUPAC Name: [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] acetateSMILES: CC(=CCCC(=CCCC(=CCOC(=O)C)C)C)CInChIKey: ZGIGZINMAOQWLX-NCZFFCEISA-NInChI: 1S/C17H28O2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-19-17(5)18/h8,10,12H,6-7,9,11,13H2,1-5H3/b15-10+,16-12+
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2'-羟基-4'-甲基苯乙酮CAS号: 6921-64-8分子式: C9H10O2 分子量: 150.18IUPAC Name: 1-(2-hydroxy-4-methylphenyl)ethanoneSMILES: CC1=CC(=C(C=C1)C(=O)C)OInChIKey: LYKDOWJROLHYOT-UHFFFAOYSA-NInChI: 1S/C9H10O2/c1-6-3-4-8(7(2)10)9(11)5-6/h3-5,11H,1-2H3
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