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          "stereochemistry": "ACHIRAL",
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          "smiles": "CCCCCCCCCCCCCCCCCC(=O)[O-]",
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0\n 47 48  1  0  0  0  0\n 48 49  1  0  0  0  0\n 49 50  1  0  0  0  0\n 50 51  1  0  0  0  0\n 51 52  1  0  0  0  0\n 52 53  1  0  0  0  0\n 53 54  1  0  0  0  0\n 54 55  1  0  0  0  0\n 55 56  1  0  0  0  0\n 56 57  1  0  0  0  0\n 57 58  1  0  0  0  0\n 57 59  2  0  0  0  0\n 60 61  1  0  0  0  0\n 22 40  1  0  0  0  0\n 22 23  1  0  0  0  0\n 23 24  1  0  0  0  0\n 24 25  1  0  0  0  0\n 25 26  1  0  0  0  0\n 26 27  1  0  0  0  0\n 27 28  1  0  0  0  0\n 28 29  1  0  0  0  0\n 29 30  1  0  0  0  0\n 30 31  1  0  0  0  0\n 31 32  1  0  0  0  0\n 32 33  1  0  0  0  0\n 33 34  1  0  0  0  0\n 34 35  1  0  0  0  0\n 35 36  1  0  0  0  0\n 36 37  1  0  0  0  0\n 37 38  1  0  0  0  0\n 37 39  2  0  0  0  0\n 40 41  1  0  0  0  0\nM  CHG  4   1   3  18  -1  38  -1  58  -1\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1 15   2   3   4   5   6   7   8   9  10  11  12  13  14  15  16\nM  SAL   1 15  17  18  19  20  21  22  23  24  25  26  27  28  29  30  31\nM  SAL   1 15  32  33  34  35  36  37  38  39  40  41  42  43  44  45  46\nM  SAL   1 15  47  48  49  50  51  52  53  54  55  56  57  58  59  60  61\nM  SPA   1 15   2   3   4   5   6   7   8   9  10  11  12  13  14  15  16\nM  SPA   1  5  17  18  19  20  21\nM  SDI   1  4   -4.6580   -0.6408   -4.6580    1.4701\nM  SDI   1  4    9.0711    1.4701    9.0711   -0.6408\nM  SMT   1 3\nM  END",
        "smiles": "CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Al+3]",
        "formula": "3C18H35O2.Al",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "877.3915",
        "optical_activity": "NONE",
        "references": [
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          "a9d88d72-ec52-49b7-9fb1-7b0d87a72ea6"
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      "unii": "U6XF9NP8HM"
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}