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ethanedioic acid; 1-[2-[3-(trifluoromethyl)phenoxy]ethyl]azepane

ethanedioic acid; 1-[2-[3-(trifluoromethyl)phenoxy]ethyl]azepane

Systemtic Name:ethanedioic acid; 1-[2-[3-(trifluoromethyl)phenoxy]ethyl]azepane
Openeye Name:oxalic acid; 1-[2-[3-(trifluoromethyl)phenoxy]ethyl]azepane
CAS Name:oxalic acid; 1-[2-[3-(trifluoromethyl)phenoxy]ethyl]azepane
IUPAC Name:oxalic acid; 1-[2-[3-(trifluoromethyl)phenoxy]ethyl]azepane
Traditional Name:oxalic acid; 1-[2-[3-(trifluoromethyl)phenoxy]ethyl]azepane
Formula: C17H22F3NO5
MolecularWeight: 377.35549
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCOC2=CC=CC(=C2)C(F)(F)F.C(=O)(C(=O)O)O


Isomeric SMILES

C1CCCN(CC1)CCOC2=CC=CC(=C2)C(F)(F)F.C(=O)(C(=O)O)O


InChI

InChI=1S/C15H20F3NO.C2H2O4/c16-15(17,18)13-6-5-7-14(12-13)20-11-10-19-8-3-1-2-4-9-19;3-1(4)2(5)6/h5-7,12H,1-4,8-11H2;(H,3,4)(H,5,6)


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