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

Systemtic Name: ethanedioic acid; 1-[4,5,6-tris(fluoranyl)-1-benzofuran-7-yl]piperazine Openeye Name: oxalic acid; 1-(4,5,6-trifluorobenzofuran-7-yl)piperazine CAS Name: oxalic acid; 1-(4,5,6-trifluoro-7-benzofuranyl)piperazine IUPAC Name: oxalic acid; 1-(4,5,6-trifluoro-1-benzofuran-7-yl)piperazine Traditional Name: oxalic acid; 1-(4,5,6-trifluorobenzofuran-7-yl)piperazine Formula: C14H13F3N2O5 MolecularWeight: 346.25863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C(=C(C3=C2OC=C3)F)F)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1)C2=C(C(=C(C3=C2OC=C3)F)F)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H11F3N2O.C2H2O4/c13-8-7-1-6-18-12(7)11(10(15)9(8)14)17-4-2-16-3-5-17;3-1(4)2(5)6/h1,6,16H,2-5H2;(H,3,4)(H,5,6)