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Added standard InChi key & string for Methyl Linolenate

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Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/5319706#section=Names-and-Identifiers
This commit is contained in:
Chris Neal
2018-05-10 12:25:57 -04:00
committed by GitHub
parent d904475ed2
commit dfdfd0e2af
1 changed files with 3 additions and 3 deletions
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6
dev/fluids/MethylLinolenate.json
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@@ -407,8 +407,8 @@
"PH": -1
},
"FORMULA": "C_{19}H_{32}O_{2}",
"INCHI_KEY": "DVWSXZIHSUZZKJ-YSTUJMKBBH",
"INCHI_STRING": "InChI=1/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11H,3,6,9,12-18H2,1-2H3/b5-4-,8-7-,11-10-",
"INCHI_KEY": "DVWSXZIHSUZZKJ-YSTUJMKBSA-N",
"INCHI_STRING": "InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11H,3,6,9,12-18H2,1-2H3/b5-4-,8-7-,11-10-",
"NAME": "MethylLinolenate",
"REFPROP_NAME": "MLINOLEN",
"SMILES": "CC/C=C\\C/C=C\\C/C=C\\CCCCCCCC(=O)OC"
@@ -451,4 +451,4 @@
"smolar_units": "J/mol/K"
}
}
}
}