1-[4,5-bis(fluoranyl)-1-benzofuran-7-yl]piperazine; (E)-but-2-enedioic acid

Systemtic Name: 1-[4,5-bis(fluoranyl)-1-benzofuran-7-yl]piperazine; (E)-but-2-enedioic acid Openeye Name: 1-(4,5-difluorobenzofuran-7-yl)piperazine; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(4,5-difluoro-7-benzofuranyl)piperazine IUPAC Name: (E)-but-2-enedioic acid; 1-(4,5-difluoro-1-benzofuran-7-yl)piperazine Traditional Name: 1-(4,5-difluorobenzofuran-7-yl)piperazine; fumaric acid Formula: C16H16F2N2O5 MolecularWeight: 354.305446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12F2N2O.C4H4O4/c13-9-7-10(16-4-2-15-3-5-16)12-8(11(9)14)1-6-17-12;5-3(6)1-2-4(7)8/h1,6-7,15H,2-5H2;1-2H,(H,5,6)(H,7,8)/b;2-1+