(E)-but-2-enedioic acid; 3-(1,2-diazacycloundecen-3-yl)-1,2-diazacycloundecene

Systemtic Name: (E)-but-2-enedioic acid; 3-(1,2-diazacycloundecen-3-yl)-1,2-diazacycloundecene Openeye Name: 3-(1,2-diazacycloundecen-3-yl)-1,2-diazacycloundecene; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-(1,2-diazacycloundecen-3-yl)-1,2-diazacycloundecene IUPAC Name: (E)-but-2-enedioic acid; 3-(1,2-diazacycloundecen-3-yl)-1,2-diazacycloundecene Traditional Name: 3-(1,2-diazacycloundecen-3-yl)-1,2-diazacycloundecene; fumaric acid Formula: C22H38N4O4 MolecularWeight: 422.56152

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCN=NC(CCC1)C2CCCCCCCCN=N2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCCCN=NC(CCC1)C2CCCCCCCCN=N2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H34N4.C4H4O4/c1-3-7-11-15-19-21-17(13-9-5-1)18-14-10-6-2-4-8-12-16-20-22-18;5-3(6)1-2-4(7)8/h17-18H,1-16H2;1-2H,(H,5,6)(H,7,8)/b;2-1+