小分子和化合物库

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显示第112个,产品总数52

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  1. 乙酰水杨酸(ASA)
    CAS号 : 50-78-2        Compound CID : 2244
    分子式: C9H8O4        分子量: 180.16
    IUPAC Name: 2-acetyloxybenzoic acid
    SMILES: CC(=O)OC1=CC=CC=C1C(=O)O
    InChIKey: BSYNRYMUTXBXSQ-UHFFFAOYSA-N
    InChI: InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
  2. 2-(2,6-二氯苯氨基)苯乙酸
    CAS号 : 15307-86-5       
    分子式: C14H11Cl2NO2        分子量: 296.15
    IUPAC Name: 2-[2-(2,6-dichloroanilino)phenyl]acetic acid
    SMILES: C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl
    InChIKey: DCOPUUMXTXDBNB-UHFFFAOYSA-N
    InChI: InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
  3. 2-(5-乙基-3,4-二苯基-吡唑-1-基)-联苯-3-基氧基]乙酸
    CAS号 : 300657-03-8       
    分子式: C31H26N2O3        分子量: 474.55
    IUPAC Name: 2-[3-[2-(5-ethyl-3,4-diphenylpyrazol-1-yl)phenyl]phenoxy]acetic acid
    SMILES: CCC1=C(C(=NN1C2=CC=CC=C2C3=CC(=CC=C3)OCC(=O)O)C4=CC=CC=C4)C5=CC=CC=C5
    InChIKey: SJRVJRYZAQYCEE-UHFFFAOYSA-N
    InChI: InChI=1S/C31H26N2O3/c1-2-27-30(22-12-5-3-6-13-22)31(23-14-7-4-8-15-23)32-33(27)28-19-10-9-18-26(28)24-16-11-17-25(20-24)36-21-29(34)35/h3-20H,2,21H2,1H3,(H,34,35)
  4. 6-Chloranyl-2-Methyl-4-Phenyl-Quinoline-3-Carboxylic Acid
    CAS号 : 312758-85-3        Compound CID : 626798
    分子式: C17H12ClNO2        分子量: 297.7
    IUPAC Name: 6-chloro-2-methyl-4-phenylquinoline-3-carboxylic acid
    SMILES: CC1=C(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)C(=O)O
    InChIKey: DTGFDMHLQGULMA-UHFFFAOYSA-N
    InChI: InChI=1S/C17H12ClNO2/c1-10-15(17(20)21)16(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)19-10/h2-9H,1H3,(H,20,21)
  5. 乙酰水杨酸
    CAS号 : 50-78-2        Compound CID : 2244
    分子式: C9H8O4        分子量: 180.16
    IUPAC Name: 2-acetyloxybenzoic acid
    SMILES: CC(=O)OC1=CC=CC=C1C(=O)O
    InChIKey: BSYNRYMUTXBXSQ-UHFFFAOYSA-N
    InChI: InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
  6. 花生四烯酸(AA)
    CAS号 : 506-32-1        Compound CID : 444899
    分子式: C20H32O2        分子量: 304.47
    IUPAC Name: (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid
    SMILES: CCCCCC=CCC=CCC=CCC=CCCCC(=O)O
    InChIKey: YZXBAPSDXZZRGB-DOFZRALJSA-N
    InChI: InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-
  7. 花生四烯酸
    CAS号 : 506-32-1        Compound CID : 444899
    分子式: C20H32O2        分子量: 304.47
    IUPAC Name: (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid
    SMILES: CCCCCC=CCC=CCC=CCC=CCCCC(=O)O
    InChIKey: YZXBAPSDXZZRGB-DOFZRALJSA-N
    InChI: InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-
  8. 8-苯胺-1-萘磺酸(ANS)
      规格或纯度 :
    • ≥96%
    CAS号 : 82-76-8        Compound CID : 1369
    分子式: C6H5NHC10H6SO3H        分子量: 299.34
    IUPAC Name: 8-anilinonaphthalene-1-sulfonic acid
    SMILES: C1=CC=C(C=C1)NC2=CC=CC3=C2C(=CC=C3)S(=O)(=O)O
    InChIKey: FWEOQOXTVHGIFQ-UHFFFAOYSA-N
    InChI: InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
  9. 油酸
      规格或纯度 :
    • AR
    CAS号 : 112-80-1        Compound CID : 445639
    分子式: CH3(CH2)7CH=CH(CH2)7COOH        分子量: 282.46
    IUPAC Name: (Z)-octadec-9-enoic acid
    SMILES: CCCCCCCCC=CCCCCCCCC(=O)O
    InChIKey: ZQPPMHVWECSIRJ-KTKRTIGZSA-N
    InChI: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
  10. 油酸
    CAS号 : 112-80-1        Compound CID : 445639
    分子式: CH3(CH2)7CH=CH(CH2)7COOH        分子量: 282.46
    IUPAC Name: (Z)-octadec-9-enoic acid
    SMILES: CCCCCCCCC=CCCCCCCCC(=O)O
    InChIKey: ZQPPMHVWECSIRJ-KTKRTIGZSA-N
    InChI: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
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