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ethanedioic acid; 2-methyl-3-[3-(trifluoromethyl)phenoxy]azetidine

ethanedioic acid; 2-methyl-3-[3-(trifluoromethyl)phenoxy]azetidine

Systemtic Name:ethanedioic acid; 2-methyl-3-[3-(trifluoromethyl)phenoxy]azetidine
Openeye Name:2-methyl-3-[3-(trifluoromethyl)phenoxy]azetidine; oxalic acid
CAS Name:2-methyl-3-[3-(trifluoromethyl)phenoxy]azetidine; oxalic acid
IUPAC Name:2-methyl-3-[3-(trifluoromethyl)phenoxy]azetidine; oxalic acid
Traditional Name:2-methyl-3-[3-(trifluoromethyl)phenoxy]azetidine; oxalic acid
Formula: C13H14F3NO5
MolecularWeight: 321.24917
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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CN1)OC2=CC=CC(=C2)C(F)(F)F.C(=O)(C(=O)O)O


Isomeric SMILES

CC1C(CN1)OC2=CC=CC(=C2)C(F)(F)F.C(=O)(C(=O)O)O


InChI

InChI=1S/C11H12F3NO.C2H2O4/c1-7-10(6-15-7)16-9-4-2-3-8(5-9)11(12,13)14;3-1(4)2(5)6/h2-5,7,10,15H,6H2,1H3;(H,3,4)(H,5,6)


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