Added standard InChi key & string for Deuterium

Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/24523#section=Names-and-Identifiers
This commit is contained in:
Chris Neal
2018-05-09 23:48:24 -04:00
committed by GitHub
parent 8c0ba707e8
commit 91ad682df4

View File

@@ -464,8 +464,8 @@
"PH": -1
},
"FORMULA": "D_{2}",
"INCHI_KEY": "UFHFLCQGNIYNRP-VVKOMZTBEA",
"INCHI_STRING": "InChI=1/H2/h1H/i1+1D",
"INCHI_KEY": "UFHFLCQGNIYNRP-VVKOMZTBSA-N",
"INCHI_STRING": "InChI=1S/H2/h1H/i1+1D",
"NAME": "Deuterium",
"REFPROP_NAME": "D2",
"SMILES": "[2H][2H]"
@@ -508,4 +508,4 @@
"smolar_units": "J/mol/K"
}
}
}
}