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          "smiles": "[Na+]",
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          "stereochemistry": "ACHIRAL",
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          "smiles": "CCCCC(CC)COS(=O)(=O)[O-]",
          "formula": "C8H17O4S",
          "atropisomerism": "No",
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      "uuid": "2605118c-d9fc-437a-aa1f-28888a32e7d4",
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        "molfile": "\n  Marvin  01132108302D          \n\n 14 12  0  0  0  0            999 V2000\n    5.2275   -0.2505    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0542   -0.2505    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    5.2275   -1.0772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2275    0.5762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4008   -0.2505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6868    0.1628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9728   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9728   -1.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2589    0.1628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8309    0.1628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5449   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2589   -1.4823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1169   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7682   -0.2505    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  3  1  2  0  0  0  0\n  4  1  2  0  0  0  0\n  5  1  1  0  0  0  0\n  6  5  1  0  0  0  0\n  7  6  1  0  0  0  0\n  8  7  1  0  0  0  0\n  9  7  1  0  0  0  0\n 10 11  1  0  0  0  0\n 11  9  1  0  0  0  0\n 12  8  1  0  0  0  0\n 13 10  1  0  0  0  0\nM  CHG  2   2  -1  14   1\nM  END",
        "smiles": "CCCCC(CC)COS(=O)(=O)[O-].[Na+]",
        "formula": "C8H17O4S.Na",
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        "stereochemistry": "RACEMIC",
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        "molecular_weight": "232.2744",
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}