From 2e0caa8b9ad7b66db860fcf762e6bd0f3ec321f3 Mon Sep 17 00:00:00 2001 From: Chris Neal Date: Fri, 11 May 2018 12:57:33 -0400 Subject: [PATCH] Added standard InChi key & string for R227EA Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/67940#section=Names-and-Identifiers --- dev/fluids/R227EA.json | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/dev/fluids/R227EA.json b/dev/fluids/R227EA.json index 8ca2b2e5..d76e4191 100644 --- a/dev/fluids/R227EA.json +++ b/dev/fluids/R227EA.json @@ -434,8 +434,8 @@ "PH": 0 }, "FORMULA": "C_{3}F_{7}H_{1}", - "INCHI_KEY": "YFMFNYKEUDLDTL-UHFFFAOYAL", - "INCHI_STRING": "InChI=1/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H", + "INCHI_KEY": "YFMFNYKEUDLDTL-UHFFFAOYSA-N", + "INCHI_STRING": "InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H", "NAME": "R227EA", "REFPROP_NAME": "R227EA", "SMILES": "C(C(F)(F)F)(C(F)(F)F)F" @@ -534,4 +534,4 @@ "type": "ECS" } } -} \ No newline at end of file +}