小分子和化合物库

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  1. 灭菌唑
    CAS号: 131983-72-7        Compound CID : 6537961
    分子式: C17H20ClN3O        分子量: 317.81
    IUPAC Name: (5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
    SMILES: CC1(CCC(=CC2=CC=C(C=C2)Cl)C1(CN3C=NC=N3)O)C
    InChIKey: PPDBOQMNKNNODG-NTEUORMPSA-N
    InChI: 1S/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3/b14-9+
  2. 维生素A-d5
      规格或纯度 :
    • ≥80%(CP),≥95 atom% D
    CAS号: 1185244-58-9
    分子式: C20H25D5O        分子量: 291.48
    IUPAC Name: (2E,4E,6E,8E)-9-[3,3-dideuterio-6,6-dimethyl-2-(trideuteriomethyl)cyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraen-1-ol
    SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C
    InChIKey: FPIPGXGPPPQFEQ-LHAZDGMOSA-N
    InChI: 1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+/i3D3,10D2
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