小分子和化合物库
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植醇分子式: C20H40O 分子量: 296.54IUPAC Name: (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-olSMILES: CC(C)CCCC(C)CCCC(C)CCCC(=CCO)CInChIKey: BOTWFXYSPFMFNR-PYDDKJGSSA-NInChI: 1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1
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草酸钪(III) 水合物CAS号: 17926-77-1分子式: Sc2(C2O4)3 · xH2O 分子量: 353.97 (anhydrous basis)IUPAC Name: scandium(3+);tricarbonate;hydrateSMILES: C(=O)([O-])[O-].C(=O)([O-])[O-].C(=O)([O-])[O-].O.[Sc+3].[Sc+3]InChIKey: UBDSVBJUAOGPNM-UHFFFAOYSA-HInChI: 1S/3CH2O3.H2O.2Sc/c3*2-1(3)4;;;/h3*(H2,2,3,4);1H2;;/q;;;;2*+3/p-6
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花生四烯酸甲酯CAS号: 2566-89-4分子式: C21H34O2 分子量: 318.49IUPAC Name: methyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoateSMILES: CCCCCC=CCC=CCC=CCC=CCCCC(=O)OCInChIKey: OFIDNKMQBYGNIW-ZKWNWVNESA-NInChI: 1S/C21H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-20H2,1-2H3/b8-7-,11-10-,14-13-,17-16-
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蔗糖分子式: C12H22O11 分子量: 342.3IUPAC Name: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triolSMILES: C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)OInChIKey: CZMRCDWAGMRECN-UGDNZRGBSA-NInChI: 1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
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