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(S)-反-2-氨基-4-(2-氨基乙氧基)-3-丁烯酸 盐酸盐CAS号 : 55720-26-8分子式: C6H12N2O3 · HCl 分子量: 196.63IUPAC Name: (E,2S)-2-amino-4-(2-aminoethoxy)but-3-enoic acid;hydrochlorideSMILES: C(COC=CC(C(=O)O)N)N.ClInChIKey: ZDCPLYVEFATMJF-BTIOQYSDSA-NInChI: InChI=1S/C6H12N2O3.ClH/c7-2-4-11-3-1-5(8)6(9)10;/h1,3,5H,2,4,7-8H2,(H,9,10);1H/b3-1+;/t5-;/m0./s1
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磷烯醇丙酮酸 环己铵盐CAS号 : 10526-80-4 Compound CID : 82702分子式: C3H4O6P · C6H14N 分子量: 267.22IUPAC Name: cyclohexanamine;2-phosphonooxyprop-2-enoic acidSMILES: C=C(C(=O)O)OP(=O)(O)O.C1CCC(CC1)NInChIKey: VHFCNZDHPABZJO-UHFFFAOYSA-NInChI: InChI=1S/C6H13N.C3H5O6P/c7-6-4-2-1-3-5-6;1-2(3(4)5)9-10(6,7)8/h6H,1-5,7H2;1H2,(H,4,5)(H2,6,7,8)
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硫酸奎宁荧光标准物质分子式: C40H48N4O4.H2SO4.2H2O 分子量: 782.95IUPAC Name: (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid;dihydrateSMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.O.O.OS(=O)(=O)OInChIKey: ZHNFLHYOFXQIOW-LPYZJUEESA-NInChI: InChI=1S/2C20H24N2O2.H2O4S.2H2O/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4;;/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4);2*1H2/t2*13-,14-,19-,20+;;;/m00.../s1
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四螨嗪CAS号 : 74115-24-5 Compound CID : 73670分子式: C14H8Cl2N4 分子量: 303.15IUPAC Name: 3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazineSMILES: C1=CC=C(C(=C1)C2=NN=C(N=N2)C3=CC=CC=C3Cl)ClInChIKey: UXADOQPNKNTIHB-UHFFFAOYSA-NInChI: InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H
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2-苯基-5-苯并咪唑磺酸CAS号 : 27503-81-7 Compound CID : 33919分子式: C13H10N2O3S 分子量: 274.29IUPAC Name: 2-phenyl-3H-benzimidazole-5-sulfonic acidSMILES: C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)S(=O)(=O)OInChIKey: UVCJGUGAGLDPAA-UHFFFAOYSA-NInChI: InChI=1S/C13H10N2O3S/c16-19(17,18)10-6-7-11-12(8-10)15-13(14-11)9-4-2-1-3-5-9/h1-8H,(H,14,15)(H,16,17,18)
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酞磺胺噻唑分子式: C17H13N3O5S2 分子量: 403.43IUPAC Name: 2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoic acidSMILES: C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)C(=O)OInChIKey: PBMSWVPMRUJMPE-UHFFFAOYSA-NInChI: InChI=1S/C17H13N3O5S2/c21-15(13-3-1-2-4-14(13)16(22)23)19-11-5-7-12(8-6-11)27(24,25)20-17-18-9-10-26-17/h1-10H,(H,18,20)(H,19,21)(H,22,23)
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10,12-二十三联炔酸CAS号 : 66990-30-5 Compound CID : 538457分子式: C23H38O2 分子量: 346.56IUPAC Name: tricosa-10,12-diynoic acidSMILES: CCCCCCCCCCC#CC#CCCCCCCCCC(=O)OInChIKey: DIEDVCMBPCRJFQ-UHFFFAOYSA-NInChI: InChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h2-10,15-22H2,1H3,(H,24,25)
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L -谷氨酸-2,3,3,4,4-d5分子式: C5H4D5NO4 分子量: 152.16IUPAC Name: (2S)-2-amino-2,3,3,4,4-pentadeuteriopentanedioic acidSMILES: C(CC(=O)O)C(C(=O)O)NInChIKey: WHUUTDBJXJRKMK-NKXUJHECSA-NInChI: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1/i1D2,2D2,3D
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乙酰水杨酸-d4CAS号 : 97781-16-3 Compound CID : 46780045分子式: C9H4D4O4 分子量: 184.18IUPAC Name: 2-acetyloxy-3,4,5,6-tetradeuteriobenzoic acidSMILES: CC(=O)OC1=CC=CC=C1C(=O)OInChIKey: BSYNRYMUTXBXSQ-QFFDRWTDSA-NInChI: InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)/i2D,3D,4D,5D
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尼美舒利-d5CAS号 : 1330180-22-7 Compound CID : 71750951分子式: C13H7D5N2O5S 分子量: 313.34IUPAC Name: N-[4-nitro-2-(2,3,4,5,6-pentadeuteriophenoxy)phenyl]methanesulfonamideSMILES: CS(NC(C=CC([N+]([O-])=O)=C1)=C1OC2=C([2H])C([2H])=C([2H])C([2H])=C2[2H])(=O)=OInChIKey: HYWYRSMBCFDLJT-VIQYUKPQSA-NInChI: InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3/i2D,3D,4D,5D,6D
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