小分子和化合物库

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  1. 伊班膦酸钠
      规格或纯度 :
    • ≥90%(T)
    CAS号: 138844-81-2        Compound CID : 23670359
    分子式: C9H22NNaO7P2        分子量: 341.21
    IUPAC Name: sodium;hydroxy-[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphinate
    SMILES: CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)[O-].[Na+]
    InChIKey: LXLBEOAZMZAZND-UHFFFAOYSA-M
    InChI: 1S/C9H23NO7P2.Na/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17;/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17);/q;+1/p-1
  2. (+)顺式,反式-脱落酸-d6
      规格或纯度 :
    • ≥95%,≥98 atom%
    CAS号: 721948-65-8        Compound CID : 46779839
    分子式: C15H14D6O4        分子量: 270.35
    IUPAC Name: (2Z,4E)-3-methyl-5-[(1S)-3,5,5-trideuterio-1-hydroxy-6,6-dimethyl-4-oxo-2-(trideuteriomethyl)cyclohex-2-en-1-yl]penta-2,4-dienoic acid
    SMILES: [2H]C1=C(C([2H])([2H])[2H])[C@](O)(\C=C\C(=C/C(=O)O)\C)C(C)(C)C([2H])([2H])C1=O
    InChIKey: JLIDBLDQVAYHNE-CKOUZVSSSA-N
    InChI: 1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1/i2D3,8D,9D2
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