3-[2-chloranyl-4-(trifluoromethyl)phenoxy]-3-thiophen-3-yl-propan-1-amine; ethanedioic acid

Systemtic Name: 3-[2-chloranyl-4-(trifluoromethyl)phenoxy]-3-thiophen-3-yl-propan-1-amine; ethanedioic acid Openeye Name: 3-[2-chloro-4-(trifluoromethyl)phenoxy]-3-(3-thienyl)propan-1-amine; oxalic acid CAS Name: 3-[2-chloro-4-(trifluoromethyl)phenoxy]-3-(3-thiophenyl)-1-propanamine; oxalic acid IUPAC Name: 3-[2-chloro-4-(trifluoromethyl)phenoxy]-3-thiophen-3-ylpropan-1-amine; oxalic acid Traditional Name: [3-[2-chloro-4-(trifluoromethyl)phenoxy]-3-(3-thienyl)propyl]amine; oxalic acid Formula: C16H15ClF3NO5S MolecularWeight: 425.80721

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)Cl)OC(CCN)C2=CSC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)Cl)OC(CCN)C2=CSC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H13ClF3NOS.C2H2O4/c15-11-7-10(14(16,17)18)1-2-13(11)20-12(3-5-19)9-4-6-21-8-9;3-1(4)2(5)6/h1-2,4,6-8,12H,3,5,19H2;(H,3,4)(H,5,6)