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          "molfile": "\n  Marvin  01132101452D          \n\n 27 27  0  0  0  0            999 V2000\n   10.0498   -0.9259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2584   -0.8405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4369    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4438   -0.5845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2274   -1.6784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9101   -2.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2748   -2.8318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6911   -1.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2041   -2.5215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2119   -3.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4981   -3.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7817   -3.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0550   -3.7628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3490   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6326   -3.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9266   -3.3672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1999   -3.7939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4939   -3.3853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8008   -3.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0741   -3.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3577   -3.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6388   -3.4086    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -2.8965    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    0.0492   -3.9982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0965   -2.7336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7817   -2.5215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4748   -2.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  3  2  1  0  0  0  0\n  4  2  1  0  0  0  0\n  2  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  7  6  1  0  0  0  0\n  8  6  1  0  0  0  0\n  6  9  1  0  0  0  0\n 10  9  1  0  0  0  0\n  9 27  2  0  0  0  0\n 10 11  2  0  0  0  0\n 11 12  1  0  0  0  0\n 12 13  1  0  0  0  0\n 26 12  2  0  0  0  0\n 13 14  1  0  0  0  0\n 14 15  1  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  1  0  0  0  0\n 17 18  1  0  0  0  0\n 18 19  1  0  0  0  0\n 19 20  1  0  0  0  0\n 20 21  1  0  0  0  0\n 21 22  1  0  0  0  0\n 23 22  1  0  0  0  0\n 24 22  2  0  0  0  0\n 25 22  2  0  0  0  0\n 27 26  1  0  0  0  0\nM  CHG  1  23  -1\nM  END",
          "smiles": "CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCS(=O)(=O)[O-]",
          "formula": "C20H33O6S",
          "atropisomerism": "No",
          "charge": -1,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "cbe5526a-2a34-4d1b-ba82-80f2523b3eda"
          },
          "defined_stereo": 0,
          "ez_centers": 0,
          "molecular_weight": "401.5393",
          "optical_activity": "NONE",
          "stereo_centers": 0
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "4f0bc150-53f6-4047-a139-3e0c253f8dde",
      "version": "11",
      "structure": {
        "id": "64768d17-e038-4211-b5de-b40c8557ca5d",
        "molfile": "\n  Marvin  01132105132D          \n\n 28 27  0  0  0  0            999 V2000\n    0.6388   -3.4086    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9101   -2.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -2.8965    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    1.3577   -3.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0492   -3.9982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0965   -2.7336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2041   -2.5215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2274   -1.6784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2584   -0.8405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2119   -3.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4748   -2.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7817   -3.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4981   -3.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7817   -2.5215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0550   -3.7628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2748   -2.8318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6911   -1.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0741   -3.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8008   -3.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9266   -3.3672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0498   -0.9259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4369    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4438   -0.5845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3490   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6326   -3.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1999   -3.7939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4939   -3.3853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0310   -2.0948    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n  2  7  1  0  0  0  0\n  3  1  1  0  0  0  0\n  4  1  1  0  0  0  0\n  5  1  2  0  0  0  0\n  6  1  2  0  0  0  0\n  7 11  2  0  0  0  0\n  8  2  1  0  0  0  0\n  9  8  1  0  0  0  0\n 10 13  2  0  0  0  0\n 11 14  1  0  0  0  0\n 12 15  1  0  0  0  0\n 13 12  1  0  0  0  0\n 14 12  2  0  0  0  0\n 15 24  1  0  0  0  0\n 16  2  1  0  0  0  0\n 17  2  1  0  0  0  0\n 18  4  1  0  0  0  0\n 19 18  1  0  0  0  0\n 20 26  1  0  0  0  0\n 21  9  1  0  0  0  0\n 22  9  1  0  0  0  0\n 23  9  1  0  0  0  0\n 24 25  1  0  0  0  0\n 25 20  1  0  0  0  0\n 26 27  1  0  0  0  0\n 27 19  1  0  0  0  0\n 10  7  1  0  0  0  0\nM  CHG  2   3  -1  28   1\nM  END",
        "smiles": "CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCS(=O)(=O)[O-].[Na+]",
        "formula": "C20H33O6S.Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "424.529",
        "optical_activity": "NONE",
        "references": [
          "0c4b3e34-424d-469a-a7b8-b1bfa6a1c4d9",
          "8f482dcf-3866-4dbc-8636-ae66d27f504e"
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        "stereo_centers": 0
      },
      "unii": "L6867H5FR4"
    }
  ]
}