ethanedioic acid; 2-[6-(trifluoromethyl)-1H-indol-3-yl]ethanamine

Systemtic Name: ethanedioic acid; 2-[6-(trifluoromethyl)-1H-indol-3-yl]ethanamine Openeye Name: oxalic acid; 2-[6-(trifluoromethyl)-1H-indol-3-yl]ethanamine CAS Name: oxalic acid; 2-[6-(trifluoromethyl)-1H-indol-3-yl]ethanamine IUPAC Name: oxalic acid; 2-[6-(trifluoromethyl)-1H-indol-3-yl]ethanamine Traditional Name: oxalic acid; 2-[6-(trifluoromethyl)-1H-indol-3-yl]ethylamine Formula: C13H13F3N2O4 MolecularWeight: 318.24853

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(F)(F)F)NC=C2CCN.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC2=C(C=C1C(F)(F)F)NC=C2CCN.C(=O)(C(=O)O)O

InChI

InChI=1S/C11H11F3N2.C2H2O4/c12-11(13,14)8-1-2-9-7(3-4-15)6-16-10(9)5-8;3-1(4)2(5)6/h1-2,5-6,16H,3-4,15H2;(H,3,4)(H,5,6)