小分子和化合物库
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乙酸丙酸酐CAS号: 13080-96-1分子式: C5H8O3 分子量: 116.12IUPAC Name: acetyl propanoateSMILES: CCC(=O)OC(=O)CInChIKey: KLUDQUOLAFVLOL-UHFFFAOYSA-NInChI: 1S/C5H8O3/c1-3-5(7)8-4(2)6/h3H2,1-2H3
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月桂醇月桂酸酯CAS号: 13945-76-1分子式: C24H48O2 分子量: 368.64IUPAC Name: dodecyl dodecanoateSMILES: CCCCCCCCCCCCOC(=O)CCCCCCCCCCCInChIKey: CYUUZGXOQDCCGH-UHFFFAOYSA-NInChI: 1S/C24H48O2/c1-3-5-7-9-11-13-15-17-19-21-23-26-24(25)22-20-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3
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苯基三丁酮肟基硅烷CAS号: 34036-80-1 Compound CID : 46846211分子式: C18H29N3O3Si 分子量: 363.53IUPAC Name: (E)-N-[bis[[(E)-butan-2-ylideneamino]oxy]-phenylsilyl]oxybutan-2-imineSMILES: CCC(=NO[Si](C1=CC=CC=C1)(ON=C(C)CC)ON=C(C)CC)CInChIKey: XKBQRJBETDMEFN-ILRZCOILSA-NInChI: 1S/C18H29N3O3Si/c1-7-15(4)19-22-25(23-20-16(5)8-2,24-21-17(6)9-3)18-13-11-10-12-14-18/h10-14H,7-9H2,1-6H3/b19-15+,20-16+,21-17+
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(±)-1,2-二油酰甘油(18:1)CAS号: 3738-74-7分子式: C39H72O5 分子量: 620.99IUPAC Name: [3-hydroxy-2-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoateSMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCCCCCCCCInChIKey: AFSHUZFNMVJNKX-XPWSMXQVSA-NInChI: 1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37,40H,3-16,21-36H2,1-2H3/b19-17+,20-18+
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α-(三氟甲基)-γ-丁内酯CAS号: 174744-18-4分子式: C5H5F3O2 分子量: 154.09IUPAC Name: 3-(trifluoromethyl)oxolan-2-oneSMILES: C1COC(=O)C1C(F)(F)FInChIKey: QNGJRLKMHRKJJL-UHFFFAOYSA-NInChI: 1S/C5H5F3O2/c6-5(7,8)3-1-2-10-4(3)9/h3H,1-2H2
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钠离子载体VICAS号: 80403-59-4 Compound CID : 4407094分子式: C34H62O12 分子量: 662.86IUPAC Name: bis(1,4,7,10-tetraoxacyclododec-2-ylmethyl) 2-dodecyl-2-methylpropanedioateSMILES: CCCCCCCCCCCCC(C)(C(=O)OCC1COCCOCCOCCO1)C(=O)OCC2COCCOCCOCCO2InChIKey: FJSZDECKJYYBGE-UHFFFAOYSA-NInChI: 1S/C34H62O12/c1-3-4-5-6-7-8-9-10-11-12-13-34(2,32(35)45-28-30-26-41-20-18-37-14-16-39-22-24-43-30)33(36)46-29-31-27-42-21-19-38-15-17-40-23-25-44-31/h30-31H,3-29H2,1-2H3
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8-甲基咪唑并[1,2-a]吡啶CAS号: 874-10-2分子式: C8H8N2 分子量: 132.17IUPAC Name: 8-methylimidazo[1,2-a]pyridineSMILES: CC1=CC=CN2C1=NC=C2InChIKey: BJZAXTJBEBNEDL-UHFFFAOYSA-NInChI: 1S/C8H8N2/c1-7-3-2-5-10-6-4-9-8(7)10/h2-6H,1H3
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布诺洛尔CAS号: 34915-68-9分子式: C14H20N2O2 分子量: 248.32IUPAC Name: 2-[3-(tert-butylamino)-2-hydroxypropoxy]benzonitrileSMILES: CC(C)(C)NCC(COC1=CC=CC=C1C#N)OInChIKey: VCVQSRCYSKKPBA-UHFFFAOYSA-NInChI: 1S/C14H20N2O2/c1-14(2,3)16-9-12(17)10-18-13-7-5-4-6-11(13)8-15/h4-7,12,16-17H,9-10H2,1-3H3
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辅酶Q2分子式: C19H26O4 分子量: 318.41IUPAC Name: 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dioneSMILES: CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)CInChIKey: SQQWBSBBCSFQGC-JLHYYAGUSA-NInChI: 1S/C19H26O4/c1-12(2)8-7-9-13(3)10-11-15-14(4)16(20)18(22-5)19(23-6)17(15)21/h8,10H,7,9,11H2,1-6H3/b13-10+
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