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Added standard InChi key & string for Heavy Water

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Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/24602#section=Names-and-Identifiers
This commit is contained in:
Chris Neal
2018-05-10 00:23:05 -04:00
committed by GitHub
parent 3deed49e32
commit 8a801b0163
1 changed files with 3 additions and 3 deletions
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6
dev/fluids/HeavyWater.json
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@@ -366,8 +366,8 @@
"PH": 0
},
"FORMULA": "D_{2}O_{1}",
"INCHI_KEY": "XLYOFNOQVPJJNP-ZSJDYOACEI",
"INCHI_STRING": "InChI=1/H2O/h1H2/i/hD2",
"INCHI_KEY": "XLYOFNOQVPJJNP-ZSJDYOACSA-N",
"INCHI_STRING": "InChI=1S/H2O/h1H2/i/hD2",
"NAME": "HeavyWater",
"REFPROP_NAME": "D2O",
"SMILES": "[2H]O[2H]"
@@ -420,4 +420,4 @@
"hardcoded": "HeavyWater"
}
}
}
}