ethanedioic acid; 1-[4,5,6-tris(fluoranyl)-3-methyl-1-benzofuran-7-yl]piperazine

Systemtic Name: ethanedioic acid; 1-[4,5,6-tris(fluoranyl)-3-methyl-1-benzofuran-7-yl]piperazine Openeye Name: oxalic acid; 1-(4,5,6-trifluoro-3-methyl-benzofuran-7-yl)piperazine CAS Name: oxalic acid; 1-(4,5,6-trifluoro-3-methyl-7-benzofuranyl)piperazine IUPAC Name: oxalic acid; 1-(4,5,6-trifluoro-3-methyl-1-benzofuran-7-yl)piperazine Traditional Name: oxalic acid; 1-(4,5,6-trifluoro-3-methyl-benzofuran-7-yl)piperazine Formula: C15H15F3N2O5 MolecularWeight: 360.28521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=C1C(=C(C(=C2N3CCNCC3)F)F)F.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=COC2=C1C(=C(C(=C2N3CCNCC3)F)F)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H13F3N2O.C2H2O4/c1-7-6-19-13-8(7)9(14)10(15)11(16)12(13)18-4-2-17-3-5-18;3-1(4)2(5)6/h6,17H,2-5H2,1H3;(H,3,4)(H,5,6)